2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one

C20H17N3O2S — CID 90831233

IUPAC2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
SMILESCc1onc(-c2ccccc2)c1CNn1sc(-c2ccccc2)cc1=O
InChIInChI=1S/C20H17N3O2S/c1-14-17(20(22-25-14)16-10-6-3-7-11-16)13-21-23-19(24)12-18(26-23)15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKeyBGAQLZHOGJSBIZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.28
Rot. Bonds5

About 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one

2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one (PubChem CID 90831233) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
PubChem CID90831233
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
SMILESCc1onc(-c2ccccc2)c1CNn1sc(-c2ccccc2)cc1=O
InChIInChI=1S/C20H17N3O2S/c1-14-17(20(22-25-14)16-10-6-3-7-11-16)13-21-23-19(24)12-18(26-23)15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKeyBGAQLZHOGJSBIZ-UHFFFAOYSA-N
XLogP4.28
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one 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-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
CID 155563136
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
CID 42778874
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 2738191
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 58067638
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
N-hydroxy-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-oxoisoquinoline-7-carboxamide
CID 87413163
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 67157780

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one (CID 90831233) is 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one is Cc1onc(-c2ccccc2)c1CNn1sc(-c2ccccc2)cc1=O.
What is the InChIKey of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one?
The InChIKey is BGAQLZHOGJSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-17(20(22-25-14)16-10-6-3-7-11-16)13-21-23-19(24)12-18(26-23)15-8-4-2-5-9-15/h2-12,21H,13H2,1H3.
What are the key properties of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one?
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one has a molecular weight of 363.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 90831233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).