N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide

C12H11N3O4 — CID 156904183

IUPACN-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C(=O)NO)co2)cc1
InChIInChI=1S/C12H11N3O4/c1-7-2-4-8(5-3-7)10(16)14-12-13-9(6-19-12)11(17)15-18/h2-6,18H,1H3,(H,15,17)(H,13,14,16)
InChIKeyWROOOUNLLZRDGF-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.35
Rot. Bonds3

About N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide

N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide (PubChem CID 156904183) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide
PubChem CID156904183
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C(=O)NO)co2)cc1
InChIInChI=1S/C12H11N3O4/c1-7-2-4-8(5-3-7)10(16)14-12-13-9(6-19-12)11(17)15-18/h2-6,18H,1H3,(H,15,17)(H,13,14,16)
InChIKeyWROOOUNLLZRDGF-UHFFFAOYSA-N
XLogP1.35
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide (CID 156904183) is N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide is Cc1ccc(C(=O)Nc2nc(C(=O)NO)co2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide?
The InChIKey is WROOOUNLLZRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-2-4-8(5-3-7)10(16)14-12-13-9(6-19-12)11(17)15-18/h2-6,18H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide?
N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methylbenzoyl)amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156904183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).