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CAS 113884-66-5 4-Phenyloxazol-2-amine hydrochloride molecular structure lightbox
CAS RN: 113884-66-5

4-Phenyloxazol-2-amine hydrochloride

  • Product code: SSC-013863
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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: 5g
  • 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 113884-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

113884-66-5 / 4-phenyl-1,3-oxazol-2-amine;hydrochloride

4-Phenyloxazol-2-amine hydrochloride | 2-Oxazolamine, 4-phenyl-, hydrochloride (1:1) | MFCD28134594

Standard CAS: 113884-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113884-66-5
Multi CAS
No
Molecular Formula
C9H9ClN2O
Molecular Weight
196.630000
Exact Mass
196.040341
SMILES
C1=CC=C(C=C1)C2=COC(=N2)N.Cl
InChI
InChI=1S/C9H8N2O.ClH/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;/h1-6H,(H2,10,11);1H
InChIKey
SLSYSGPAGQCQMC-UHFFFAOYSA-N
Synonyms
4-Phenyloxazol-2-amine hydrochloride 2-Oxazolamine, 4-phenyl-, hydrochloride (1:1) MFCD28134594 2-Amino-4-phenyloxazole Hydrochloride 4-PHENYL-1,3-OXAZOL-2-AMINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.6
TPSA
52.05

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.35
Consensus LogP
2.25
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.25

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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