5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide

C13H13ClN4O2 — CID 10108415

IUPAC5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)noc1N)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-7(9-3-5-10(14)6-4-9)16-17-13(19)11-8(2)18-20-12(11)15/h3-6H,15H2,1-2H3,(H,17,19)/b16-7+
InChIKeyAATZFHYSXDWTFR-FRKPEAEDSA-N
MW292.73 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide

5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 10108415) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID10108415
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)noc1N)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-7(9-3-5-10(14)6-4-9)16-17-13(19)11-8(2)18-20-12(11)15/h3-6H,15H2,1-2H3,(H,17,19)/b16-7+
InChIKeyAATZFHYSXDWTFR-FRKPEAEDSA-N
XLogP2.37
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (CID 10108415) is 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is C/C(=N\NC(=O)c1c(C)noc1N)c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AATZFHYSXDWTFR-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-7(9-3-5-10(14)6-4-9)16-17-13(19)11-8(2)18-20-12(11)15/h3-6H,15H2,1-2H3,(H,17,19)/b16-7+.
What are the key properties of 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10108415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).