2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide

C14H10ClN3O2 — CID 104600407

IUPAC2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccno1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H10ClN3O2/c15-13-7-11(10-3-1-2-4-12(10)18-13)14(19)16-8-9-5-6-17-20-9/h1-7H,8H2,(H,16,19)
InChIKeyZXENBJWNXGZHQB-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide

2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide (PubChem CID 104600407) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
PubChem CID104600407
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccno1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H10ClN3O2/c15-13-7-11(10-3-1-2-4-12(10)18-13)14(19)16-8-9-5-6-17-20-9/h1-7H,8H2,(H,16,19)
InChIKeyZXENBJWNXGZHQB-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-5-yl)-2-oxoacetamide
CID 23397134
N-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 172435946
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 137425271
7-fluoro-N-(5-isoxazolylmethyl)-N,2-dimethyl-4-quinolinecarboxamide
CID 70745469
2-chloro-7-fluoro-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]quinoline-3-carboxamide
CID 110310876
3-(3-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 46949432
N-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}pyridine-4-carboxamide
CID 46949488
N-([3-(3-Chlorophenyl)-1,2-oxazol-5-yl]methyl)pyridine-3-carboxamide
CID 46949492
N-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}pyridine-2-carboxamide
CID 46949493
2-Chloro-N-([3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl)pyridine-3-carboxamide
CID 46949509
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 10044702
N-(6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-isoxazolecarboxamide
CID 11998394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide (CID 104600407) is 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccno1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The InChIKey is ZXENBJWNXGZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-13-7-11(10-3-1-2-4-12(10)18-13)14(19)16-8-9-5-6-17-20-9/h1-7H,8H2,(H,16,19).
What are the key properties of 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 104600407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).