2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C20H27N3O — CID 51137386

IUPAC2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H27N3O/c1-3-7-16(8-4-1)13-19-21-22-20(24-19)18-11-12-23(15-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t18-/m0/s1
InChIKeyMUDJOBMGXRGJQC-SFHVURJKSA-N
MW325.46 g/mol
LogP4.03
Rot. Bonds5

About 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137386) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137386
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H27N3O/c1-3-7-16(8-4-1)13-19-21-22-20(24-19)18-11-12-23(15-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t18-/m0/s1
InChIKeyMUDJOBMGXRGJQC-SFHVURJKSA-N
XLogP4.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(biphenyl-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-isobutyl-N-methylpropanamide
CID 16191601
N-methyl-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide
CID 23723680
2-(Biphenyl-4-ylmethyl)-5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazole
CID 16191552
2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137207
2-Benzyl-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145962106
1-(3-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2-phenylethanone
CID 44067642
1-(3-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2,2-dimethylpropan-1-one
CID 44067647
2-methyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137164
2-benzyl-5-[(3S)-1-cyclohexylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137387
2-benzyl-5-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137388
2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137390
4-[[(3S)-3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 51137384

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137386) is 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is c1ccc(Cc2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is MUDJOBMGXRGJQC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-7-16(8-4-1)13-19-21-22-20(24-19)18-11-12-23(15-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t18-/m0/s1.
What are the key properties of 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 325.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).