N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide

C10H7ClN2O2 — CID 2744445

IUPACN-(4-chlorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccno1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14)
InChIKeyVZHVERZVSHCFNW-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.58
Rot. Bonds2

About N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide

N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 2744445) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID2744445
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC NameN-(4-chlorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccno1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14)
InChIKeyVZHVERZVSHCFNW-UHFFFAOYSA-N
XLogP2.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide (CID 2744445) is N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccno1.
What is the InChIKey of N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VZHVERZVSHCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14).
What are the key properties of N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide?
N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 222.63 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).