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

C20H20ClN3O — CID 75615410

IUPAC2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1
InChIInChI=1S/C20H20ClN3O/c1-14-2-6-16(7-3-14)19-22-23-20(25-19)17-10-11-24(13-17)12-15-4-8-18(21)9-5-15/h2-9,17H,10-13H2,1H3
InChIKeyRTTKHPCFRKPFEI-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.69
Rot. Bonds4

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

2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 75615410) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID75615410
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1
InChIInChI=1S/C20H20ClN3O/c1-14-2-6-16(7-3-14)19-22-23-20(25-19)17-10-11-24(13-17)12-15-4-8-18(21)9-5-15/h2-9,17H,10-13H2,1H3
InChIKeyRTTKHPCFRKPFEI-UHFFFAOYSA-N
XLogP4.69
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 75615498
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
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-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 75615410) is 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is RTTKHPCFRKPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-2-6-16(7-3-14)19-22-23-20(25-19)17-10-11-24(13-17)12-15-4-8-18(21)9-5-15/h2-9,17H,10-13H2,1H3.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 353.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).