5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide

C15H9Cl2N3O2 — CID 5003875

IUPAC5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H9Cl2N3O2/c16-10-5-3-9(4-6-10)13-8-12(20-22-13)15(21)19-11-2-1-7-18-14(11)17/h1-8H,(H,19,21)
InChIKeyIDKCRNYMFZKQDG-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.30
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide (PubChem CID 5003875) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide
PubChem CID5003875
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H9Cl2N3O2/c16-10-5-3-9(4-6-10)13-8-12(20-22-13)15(21)19-11-2-1-7-18-14(11)17/h1-8H,(H,19,21)
InChIKeyIDKCRNYMFZKQDG-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.30
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-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
N-(2-chloro(3-pyridyl))[5-(4-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693609
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
CID 135497054
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide (CID 5003875) is 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IDKCRNYMFZKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-10-5-3-9(4-6-10)13-8-12(20-22-13)15(21)19-11-2-1-7-18-14(11)17/h1-8H,(H,19,21).
What are the key properties of 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5003875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).