3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C16H12FN3O2 — CID 2985440

IUPAC3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2/c17-13-8-4-7-12(9-13)16(21)18-10-14-19-15(20-22-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)
InChIKeyFPKOWOQRPCWKAG-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

About 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 2985440) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID2985440
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2/c17-13-8-4-7-12(9-13)16(21)18-10-14-19-15(20-22-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)
InChIKeyFPKOWOQRPCWKAG-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 2985440) is 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(NCc1nc(-c2ccccc2)no1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is FPKOWOQRPCWKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-8-4-7-12(9-13)16(21)18-10-14-19-15(20-22-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21).
What are the key properties of 3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 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-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 2985440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).