2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one

C15H16N2O2 — CID 113460238

IUPAC2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1nc(C2CC2C)no1
InChIInChI=1S/C15H16N2O2/c1-9-8-12(9)14-16-15(19-17-14)10(2)13(18)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyVZMJTHMRAHVJDL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one

2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one (PubChem CID 113460238) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
PubChem CID113460238
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1nc(C2CC2C)no1
InChIInChI=1S/C15H16N2O2/c1-9-8-12(9)14-16-15(19-17-14)10(2)13(18)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyVZMJTHMRAHVJDL-UHFFFAOYSA-N
XLogP3.18
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 116732656
ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate
CID 79482100
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404693
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539976
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65405863
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65402610

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The IUPAC name of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one (CID 113460238) is 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)c1nc(C2CC2C)no1.
What is the InChIKey of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The InChIKey is VZMJTHMRAHVJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-8-12(9)14-16-15(19-17-14)10(2)13(18)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3.
What are the key properties of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one has a molecular weight of 256.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 113460238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).