2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine

C21H20N2OS — CID 90693066

IUPAC2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c1-15-12-13-25-21(15)18-14-19(22)24-23(18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19-20H,22H2,1H3
InChIKeyHIZRLONDQUWEQU-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.72
Rot. Bonds4

About 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine

2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 90693066) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID90693066
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c1-15-12-13-25-21(15)18-14-19(22)24-23(18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19-20H,22H2,1H3
InChIKeyHIZRLONDQUWEQU-UHFFFAOYSA-N
XLogP4.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-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

Related Compounds

2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935
3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453617
(1R)-1-phenyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 70834372
(1S)-1-phenyl-N-[[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]methyl]ethanamine
CID 71178191
2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90792290
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91160388
2-cyclopentyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91236224
2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91263686
2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91554466
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
CID 91570787

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 90693066) is 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is Cc1ccsc1C1=CC(N)ON1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is HIZRLONDQUWEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15-12-13-25-21(15)18-14-19(22)24-23(18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19-20H,22H2,1H3.
What are the key properties of 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 348.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 90693066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).