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

C12H11ClN4O2 — CID 10588704

IUPAC5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-7-10(11(14)19-17-7)12(18)16-15-6-8-3-2-4-9(13)5-8/h2-6H,14H2,1H3,(H,16,18)/b15-6+
InChIKeyOQRNENYCHMVFHB-GIDUJCDVSA-N
MW278.70 g/mol
LogP1.98
Rot. Bonds3

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

5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 10588704) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID10588704
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-7-10(11(14)19-17-7)12(18)16-15-6-8-3-2-4-9(13)5-8/h2-6H,14H2,1H3,(H,16,18)/b15-6+
InChIKeyOQRNENYCHMVFHB-GIDUJCDVSA-N
XLogP1.98
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.98
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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Related Compounds

5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
CID 135463633
N-[(3-chlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219053
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (CID 10588704) is 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(N)c1C(=O)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OQRNENYCHMVFHB-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-7-10(11(14)19-17-7)12(18)16-15-6-8-3-2-4-9(13)5-8/h2-6H,14H2,1H3,(H,16,18)/b15-6+.
What are the key properties of 5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.98, 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)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10588704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).