N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide

C13H12N4O4 — CID 52907905

IUPACN-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide
SMILESNC(=O)CNC(=O)c1coc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N4O4/c14-10(18)6-15-12(20)9-7-21-13(16-9)17-11(19)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,18)(H,15,20)(H,16,17,19)
InChIKeyWKLGKMXYVRUJAB-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.14
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide

N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide (PubChem CID 52907905) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide
PubChem CID52907905
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide
SMILESNC(=O)CNC(=O)c1coc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N4O4/c14-10(18)6-15-12(20)9-7-21-13(16-9)17-11(19)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,18)(H,15,20)(H,16,17,19)
InChIKeyWKLGKMXYVRUJAB-UHFFFAOYSA-N
XLogP0.14
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide (CID 52907905) is N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide is NC(=O)CNC(=O)c1coc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide?
The InChIKey is WKLGKMXYVRUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c14-10(18)6-15-12(20)9-7-21-13(16-9)17-11(19)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,18)(H,15,20)(H,16,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-benzamido-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).