2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C17H14FN3O2 — CID 122175341

IUPAC2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H14FN3O2/c1-11-15(16(22)20-10-12-5-4-8-19-9-12)21-17(23-11)13-6-2-3-7-14(13)18/h2-9H,10H2,1H3,(H,20,22)
InChIKeyIEFVTSRJVUFVID-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 122175341) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID122175341
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H14FN3O2/c1-11-15(16(22)20-10-12-5-4-8-19-9-12)21-17(23-11)13-6-2-3-7-14(13)18/h2-9H,10H2,1H3,(H,20,22)
InChIKeyIEFVTSRJVUFVID-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392260
N-[(4-fluorophenyl)methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175442
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175472
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119041914
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 122175341) is 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2F)nc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IEFVTSRJVUFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-15(16(22)20-10-12-5-4-8-19-9-12)21-17(23-11)13-6-2-3-7-14(13)18/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122175341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).