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CAS 1186127-13-8 2-(5-Oxazolyl)benzonitrile molecular structure lightbox
CAS RN: 1186127-13-8

2-(5-Oxazolyl)benzonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018467
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 12
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186127-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g -- 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

1186127-13-8 / 2-(1,3-oxazol-5-yl)benzonitrile

2-(5-Oxazolyl)benzonitrile | 2-(Oxazol-5-yl)benzonitrile | MFCD18375279

Standard CAS: 1186127-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186127-13-8
Multi CAS
Yes
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
SMILES
C1=CC=C(C(=C1)C#N)C2=CN=CO2
InChI
InChI=1S/C10H6N2O/c11-5-8-3-1-2-4-9(8)10-6-12-7-13-10/h1-4,6-7H
InChIKey
XWKIXYMHMGBOMI-UHFFFAOYSA-N
Synonyms
2-(5-Oxazolyl)benzonitrile 2-(Oxazol-5-yl)benzonitrile MFCD18375279 2-(1,3-OXAZOL-5-YL)BENZONITRILE 2-oxazol-5-ylbenzonitrile

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.65
TPSA
49.82

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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