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

C20H27N3O — CID 75615413

IUPAC2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCN(CC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H27N3O/c1-15-7-9-17(10-8-15)19-21-22-20(24-19)18-11-12-23(14-18)13-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3
InChIKeyKQFQCUDYYHAJAG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.41
Rot. Bonds4

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

2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 75615413) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID75615413
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCN(CC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H27N3O/c1-15-7-9-17(10-8-15)19-21-22-20(24-19)18-11-12-23(14-18)13-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3
InChIKeyKQFQCUDYYHAJAG-UHFFFAOYSA-N
XLogP4.41
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615615
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
CID 51137817
2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99963715
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137304
1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
CID 155742728
N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 75615538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 75615413) is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C3CCN(CC4CCCCC4)C3)o2)cc1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is KQFQCUDYYHAJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-7-9-17(10-8-15)19-21-22-20(24-19)18-11-12-23(14-18)13-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 325.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).