3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C16H19N3O2 — CID 110407002

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nnc(C(CC(=O)N2CCCC2)c2ccccc2)o1
InChIInChI=1S/C16H19N3O2/c1-12-17-18-16(21-12)14(13-7-3-2-4-8-13)11-15(20)19-9-5-6-10-19/h2-4,7-8,14H,5-6,9-11H2,1H3
InChIKeyRFLLAGCULUINDP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.52
Rot. Bonds4

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 110407002) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID110407002
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nnc(C(CC(=O)N2CCCC2)c2ccccc2)o1
InChIInChI=1S/C16H19N3O2/c1-12-17-18-16(21-12)14(13-7-3-2-4-8-13)11-15(20)19-9-5-6-10-19/h2-4,7-8,14H,5-6,9-11H2,1H3
InChIKeyRFLLAGCULUINDP-UHFFFAOYSA-N
XLogP2.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 110605942
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426241
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 110413335
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 650871
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 934587
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 110407002) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is Cc1nnc(C(CC(=O)N2CCCC2)c2ccccc2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RFLLAGCULUINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-17-18-16(21-12)14(13-7-3-2-4-8-13)11-15(20)19-9-5-6-10-19/h2-4,7-8,14H,5-6,9-11H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 110407002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).