N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H10N4O3S — CID 90515476

IUPACN-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H10N4O3S/c17-8-10-3-5-11(6-4-10)18-14(21)12-9-23-16(19-12)20-15(22)13-2-1-7-24-13/h1-7,9H,(H,18,21)(H,19,20,22)
InChIKeyBDQCBUFYCVDQOE-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.11
Rot. Bonds4

About N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515476) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515476
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC NameN-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H10N4O3S/c17-8-10-3-5-11(6-4-10)18-14(21)12-9-23-16(19-12)20-15(22)13-2-1-7-24-13/h1-7,9H,(H,18,21)(H,19,20,22)
InChIKeyBDQCBUFYCVDQOE-UHFFFAOYSA-N
XLogP3.11
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907985
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82120465
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 52907988
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515476) is N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is N#Cc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is BDQCBUFYCVDQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c17-8-10-3-5-11(6-4-10)18-14(21)12-9-23-16(19-12)20-15(22)13-2-1-7-24-13/h1-7,9H,(H,18,21)(H,19,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).