5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide

C17H16N2O2S — CID 4732571

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(C)noc3C)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)18-17(20)15-8-7-14(22-15)16-11(2)19-21-12(16)3/h4-9H,1-3H3,(H,18,20)
InChIKeyREUXGAJBCFTUBY-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.58
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 4732571) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID4732571
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(C)noc3C)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)18-17(20)15-8-7-14(22-15)16-11(2)19-21-12(16)3/h4-9H,1-3H3,(H,18,20)
InChIKeyREUXGAJBCFTUBY-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 4732505
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 4732524
N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide
CID 4732564
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732484
[4-[5-[(3-methylphenyl)carbamoyl]thiophen-2-yl]phenyl]boronic acid
CID 158300195
3-[5-[(3-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76906875
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4732588
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone
CID 4732500
N,5-diphenylthiophene-2-carboxamide
CID 3746437
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide (CID 4732571) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3c(C)noc3C)s2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is REUXGAJBCFTUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)18-17(20)15-8-7-14(22-15)16-11(2)19-21-12(16)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4732571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).