N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C16H13N3O3S — CID 973273

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1
InChIInChI=1S/C16H13N3O3S/c1-10-9-14(19-22-10)18-15(20)11-4-6-12(7-5-11)17-16(21)13-3-2-8-23-13/h2-9H,1H3,(H,17,21)(H,18,19,20)
InChIKeyJGQMHYIHPMKVJD-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 973273) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID973273
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1
InChIInChI=1S/C16H13N3O3S/c1-10-9-14(19-22-10)18-15(20)11-4-6-12(7-5-11)17-16(21)13-3-2-8-23-13/h2-9H,1H3,(H,17,21)(H,18,19,20)
InChIKeyJGQMHYIHPMKVJD-UHFFFAOYSA-N
XLogP3.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1245228
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
N-[2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
CID 3240257
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322
N-(5-Methyl-isoxazol-3-yl)-4-propionylamino-benzamide
CID 1085285
N-(Isoxazol-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247043
2-[(2-methoxyethyl)thio]-N-(5-methyl-3-isoxazolyl)benzamide
CID 2218470

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 973273) is N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is JGQMHYIHPMKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-10-9-14(19-22-10)18-15(20)11-4-6-12(7-5-11)17-16(21)13-3-2-8-23-13/h2-9H,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 973273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).