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CAS 1060816-27-4 2-Chloro-5-(4-fluoro-phenyl)-oxazole molecular structure lightbox
CAS RN: 1060816-27-4

2-Chloro-5-(4-fluoro-phenyl)-oxazole

  • Product code: SSC-007899
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1060816-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1060816-27-4 / 2-chloro-5-(4-fluorophenyl)-1,3-oxazole

2-CHLORO-5-(4-FLUOROPHENYL)OXAZOLE | Oxazole, 2-chloro-5-(4-fluorophenyl)- | 2-CHLORO-5-(4-FLUOROPHENYL)-1,3-OXAZOLE

Standard CAS: 1060816-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060816-27-4
Multi CAS
No
Molecular Formula
C9H5ClFNO
Molecular Weight
197.590000
Exact Mass
197.004370
SMILES
C1=CC(=CC=C1C2=CN=C(O2)Cl)F
InChI
InChI=1S/C9H5ClFNO/c10-9-12-5-8(13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
HUGQDUJZWJSWCG-UHFFFAOYSA-N
Synonyms
2-CHLORO-5-(4-FLUOROPHENYL)OXAZOLE Oxazole, 2-chloro-5-(4-fluorophenyl)- 2-CHLORO-5-(4-FLUOROPHENYL)-1,3-OXAZOLE SCHEMBL3638292 HUGQDUJZWJSWCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.91
TPSA
26.03

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-1.7

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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