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

C15H9ClFN3O2 — CID 3586460

IUPACN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21)
InChIKeyRYYNONNPLIDRHP-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.78
Rot. Bonds3

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

N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3586460) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID3586460
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21)
InChIKeyRYYNONNPLIDRHP-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 53.78
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

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
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
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
CID 135497054
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677971

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 3586460) is N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RYYNONNPLIDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 317.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3586460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).