3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide

C16H12FN3O2 — CID 17096077

IUPAC3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H12FN3O2/c17-13-6-2-1-5-12(13)14-8-15(22-20-14)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKeyXFCPABYWIMUJIU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096077) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID17096077
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H12FN3O2/c17-13-6-2-1-5-12(13)14-8-15(22-20-14)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKeyXFCPABYWIMUJIU-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
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
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
CID 11603404
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide (CID 17096077) is 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccccc2F)no1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is XFCPABYWIMUJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-6-2-1-5-12(13)14-8-15(22-20-14)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21).
What are the key properties of 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).