2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide

C20H16N4O2S — CID 55834750

IUPAC2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(-c3cnco3)c2)n1-c1ccccc1
InChIInChI=1S/C20H16N4O2S/c1-27-20-22-11-17(24(20)16-8-3-2-4-9-16)19(25)23-15-7-5-6-14(10-15)18-12-21-13-26-18/h2-13H,1H3,(H,23,25)
InChIKeyKCXAWSHBANDOJW-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.50
Rot. Bonds5

About 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide

2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide (PubChem CID 55834750) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide
PubChem CID55834750
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(-c3cnco3)c2)n1-c1ccccc1
InChIInChI=1S/C20H16N4O2S/c1-27-20-22-11-17(24(20)16-8-3-2-4-9-16)19(25)23-15-7-5-6-14(10-15)18-12-21-13-26-18/h2-13H,1H3,(H,23,25)
InChIKeyKCXAWSHBANDOJW-UHFFFAOYSA-N
XLogP4.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide 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

3-(4-fluorophenyl)-N-(3-hydroxyphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78797233
2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130
4-amino-1-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 61102969
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
CID 38668529
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46402331
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
CID 71865394
5-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 47265686
2-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 61041502
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
CID 55515096

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide (CID 55834750) is 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2cccc(-c3cnco3)c2)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is KCXAWSHBANDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-27-20-22-11-17(24(20)16-8-3-2-4-9-16)19(25)23-15-7-5-6-14(10-15)18-12-21-13-26-18/h2-13H,1H3,(H,23,25).
What are the key properties of 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide?
2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 55834750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).