2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C13H10N4O4S — CID 78827961

IUPAC2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H10N4O4S/c14-11(19)9-5-15-12(22-9)16-10(18)6-17-7-3-1-2-4-8(7)21-13(17)20/h1-5H,6H2,(H2,14,19)(H,15,16,18)
InChIKeyIAMLPRXGFCIYEU-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.79
Rot. Bonds4

About 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78827961) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78827961
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H10N4O4S/c14-11(19)9-5-15-12(22-9)16-10(18)6-17-7-3-1-2-4-8(7)21-13(17)20/h1-5H,6H2,(H2,14,19)(H,15,16,18)
InChIKeyIAMLPRXGFCIYEU-UHFFFAOYSA-N
XLogP0.79
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78852046
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 78827961) is 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is IAMLPRXGFCIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c14-11(19)9-5-15-12(22-9)16-10(18)6-17-7-3-1-2-4-8(7)21-13(17)20/h1-5H,6H2,(H2,14,19)(H,15,16,18).
What are the key properties of 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78827961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).