N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide

C11H8ClN3O3 — CID 2744429

IUPACN-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC(=O)c1ccno1)Nc1ccccc1Cl
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-2-4-8(7)14-11(17)15-10(16)9-5-6-13-18-9/h1-6H,(H2,14,15,16,17)
InChIKeyKEKCNVNGBVMQNL-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.29
Rot. Bonds2

About N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide

N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide (PubChem CID 2744429) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
PubChem CID2744429
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC NameN-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC(=O)c1ccno1)Nc1ccccc1Cl
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-2-4-8(7)14-11(17)15-10(16)9-5-6-13-18-9/h1-6H,(H2,14,15,16,17)
InChIKeyKEKCNVNGBVMQNL-UHFFFAOYSA-N
XLogP2.29
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744685
Piperazine amide, 6f
CID 44236963
N-(3,5-dichlorophenyl)isoxazole-5-carboxamide
CID 2744443
N-(3,4-dichlorophenyl)isoxazole-5-carboxamide
CID 44191098
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-(4-fluorophenyl)isoxazole-5-carboxamide
CID 18587294
1-(4-Chlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744686
N-(2,3-dichlorophenyl)isoxazole-5-carboxamide
CID 18587293
N-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 69827107
N-[(4-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744430
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110693643

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide (CID 2744429) is N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide is O=C(NC(=O)c1ccno1)Nc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KEKCNVNGBVMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-3-1-2-4-8(7)14-11(17)15-10(16)9-5-6-13-18-9/h1-6H,(H2,14,15,16,17).
What are the key properties of N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide?
N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide has a molecular weight of 265.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2744429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).