N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide

C18H12N2O3S — CID 134019850

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H12N2O3S/c21-17(16-13(8-9-24-16)11-4-2-1-3-5-11)19-12-6-7-15-14(10-12)20-18(22)23-15/h1-10H,(H,19,21)(H,20,22)
InChIKeyINHBMEGKBVEEFQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.10
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide (PubChem CID 134019850) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
PubChem CID134019850
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H12N2O3S/c21-17(16-13(8-9-24-16)11-4-2-1-3-5-11)19-12-6-7-15-14(10-12)20-18(22)23-15/h1-10H,(H,19,21)(H,20,22)
InChIKeyINHBMEGKBVEEFQ-UHFFFAOYSA-N
XLogP4.10
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38467487
1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
CID 134020024
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide (CID 134019850) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide?
The InChIKey is INHBMEGKBVEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-17(16-13(8-9-24-16)11-4-2-1-3-5-11)19-12-6-7-15-14(10-12)20-18(22)23-15/h1-10H,(H,19,21)(H,20,22).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 134019850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).