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

C13H14FN3O2 — CID 110368258

IUPAC2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCC(C)c1nnc(CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyXYLAWHDZWJSTNB-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.26
Rot. Bonds4

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

2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110368258) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110368258
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCC(C)c1nnc(CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyXYLAWHDZWJSTNB-UHFFFAOYSA-N
XLogP2.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393088
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
(2S)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 7502491
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone
CID 86779722
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110368258) is 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CC(C)c1nnc(CNC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is XYLAWHDZWJSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 263.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110368258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).