2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C13H14FN3O2 — CID 99632717

IUPAC2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(C)(F)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C13H14FN3O2/c1-13(2,14)12-16-10(17-19-12)8-11(18)15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyNWVRRNGMSAGTOI-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 99632717) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID99632717
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(C)(F)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C13H14FN3O2/c1-13(2,14)12-16-10(17-19-12)8-11(18)15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyNWVRRNGMSAGTOI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 75524613
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
(2-anilino-2-oxoethyl)-(carboxymethyl)-dimethylazanium
CID 12595348
3,3-difluoro-N-phenylbutanamide
CID 131059355
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 99632717) is 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is CC(C)(F)c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is NWVRRNGMSAGTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-13(2,14)12-16-10(17-19-12)8-11(18)15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 263.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 99632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).