[email protected]
CAS 1457898-81-5 2-(4-NITROPHENYL)OXAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1457898-81-5

2-(4-NITROPHENYL)OXAZOLE-4-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg Out of stock Inquiry
Batchno.20250625 100mg Out of stock 8-10 business days Inquiry
Batchno.20260121 1g Out of stock Inquiry
Batchno.20260105 250mg Out of stock Inquiry
  • Product code: starshine_CAS1457898-81-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1457898-81-5 / 2-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid

Standard CAS: 1457898-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1457898-81-5
Multi CAS
No
Molecular Formula
C10H6N2O5
Molecular Weight
234.160000
Exact Mass
234.027671
SMILES
C1=CC(=CC=C1C2=NC(=CO2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O5/c13-10(14)8-5-17-9(11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
InChIKey
CISQMDBMEDATAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.55
TPSA
106.47

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us