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

C16H12FN3O2 — CID 110318958

IUPACN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C16H12FN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyJPRZLQKUSSEPAU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

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

N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110318958) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110318958
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C16H12FN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyJPRZLQKUSSEPAU-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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318991
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide
CID 110319025
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110408532
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92574158

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110318958) is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(-c2ccccc2F)o1)c1ccccc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is JPRZLQKUSSEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21).
What are the key properties of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-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 N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).