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

C16H13BrN2O — CID 66199070

IUPAC5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O/c1-10-2-4-11(5-3-10)14-15(20-19-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3,(H2,18,19)
InChIKeyHXRMBUZAWOUBIO-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.66
Rot. Bonds2

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

5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199070) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66199070
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O/c1-10-2-4-11(5-3-10)14-15(20-19-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3,(H2,18,19)
InChIKeyHXRMBUZAWOUBIO-UHFFFAOYSA-N
XLogP4.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-3,5-diphenylisoxazole
CID 570294
4-Bromo-5-phenyl-1,2-oxazol-3-amine
CID 12371364
4-(4-Bromophenyl)-1,2-oxazol-3-amine
CID 972420
Isoxazole, 5-(4-bromophenyl)-3-phenyl-
CID 835944
6-Bromo-1,2-benzoxazol-3-amine
CID 10608621
5-(4-Bromophenyl)isoxazol-3-amine
CID 16218187
3-(4-Bromophenyl)-5-phenyl-1,2-oxazole
CID 14638116
5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199795
4-Methyl-5-phenyl-1,2-oxazol-3-amine hydrochloride
CID 139026301
3,5-Bis(4-bromophenyl)isoxazole
CID 12207756
5-(4-Bromophenyl)-3,4-dimethyl-1,2-oxazole
CID 71405414
3-(4-Bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole
CID 22316600

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66199070) is 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is HXRMBUZAWOUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-2-4-11(5-3-10)14-15(20-19-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 329.20 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).