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

C19H20N2O2S — CID 4732524

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C19H20N2O2S/c1-11(2)14-5-7-15(8-6-14)20-19(22)17-10-9-16(24-17)18-12(3)21-23-13(18)4/h5-11H,1-4H3,(H,20,22)
InChIKeyWRQJBUJNRKVSFU-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.40
Rot. Bonds4

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 4732524) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
PubChem CID4732524
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C19H20N2O2S/c1-11(2)14-5-7-15(8-6-14)20-19(22)17-10-9-16(24-17)18-12(3)21-23-13(18)4/h5-11H,1-4H3,(H,20,22)
InChIKeyWRQJBUJNRKVSFU-UHFFFAOYSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.40
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-(3-methylphenyl)thiophene-2-carboxamide
CID 4732571
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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4732588
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073
2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone
CID 4732500
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide (CID 4732524) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide is Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)s1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is WRQJBUJNRKVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-11(2)14-5-7-15(8-6-14)20-19(22)17-10-9-16(24-17)18-12(3)21-23-13(18)4/h5-11H,1-4H3,(H,20,22).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 5.40, 4 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-(4-propan-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).