5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

C16H12ClFN2O — CID 66200871

IUPAC5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyQSPIVGLSGCWRAP-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66200871) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66200871
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyQSPIVGLSGCWRAP-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66200636
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 79212754
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200527

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66200871) is 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QSPIVGLSGCWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 302.74 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).