5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

C17H16N2O2S — CID 2811699

IUPAC5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H16N2O2S/c1-11-8-9-22-14(11)10-18-17(20)15-12(2)21-19-16(15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyDQVOURGSEIYTCB-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.95
Rot. Bonds4

About 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2811699) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2811699
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H16N2O2S/c1-11-8-9-22-14(11)10-18-17(20)15-12(2)21-19-16(15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyDQVOURGSEIYTCB-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2522158
5-methyl-3-phenyl-N'-(2-thienylmethylene)-4-isoxazolecarbohydrazide
CID 9583377
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-prop-2-enylbenzamide
CID 24249184
(E)-N-[N'-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide
CID 2043610
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
Methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
CID 1222720
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3241096
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-(4-fluorobenzyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 673491
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 2811699) is 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccsc1CNC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DQVOURGSEIYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-8-9-22-14(11)10-18-17(20)15-12(2)21-19-16(15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2811699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).