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

C14H11BrN2OS — CID 62829426

IUPAC3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(Br)s3)noc2N)c1
InChIInChI=1S/C14H11BrN2OS/c1-8-3-2-4-9(7-8)12-13(17-18-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3
InChIKeyMZBWTCHZENSCBU-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.72
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62829426) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62829426
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(Br)s3)noc2N)c1
InChIInChI=1S/C14H11BrN2OS/c1-8-3-2-4-9(7-8)12-13(17-18-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3
InChIKeyMZBWTCHZENSCBU-UHFFFAOYSA-N
XLogP4.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (CID 62829426) is 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3ccc(Br)s3)noc2N)c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is MZBWTCHZENSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-8-3-2-4-9(7-8)12-13(17-18-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 335.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62829426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).