5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide

C12H12ClN3O2 — CID 718651

IUPAC5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(N)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)18-16-9)12(17)15-8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyDUWHVZZGYJVKPR-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.72
Rot. Bonds3

About 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide

5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 718651) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID718651
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(N)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)18-16-9)12(17)15-8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyDUWHVZZGYJVKPR-UHFFFAOYSA-N
XLogP2.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide (CID 718651) is 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide is CCc1noc(N)c1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DUWHVZZGYJVKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)18-16-9)12(17)15-8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 718651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).