2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol

C20H21N3O2 — CID 75615431

IUPAC2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCc1ccc(-c2nnc(C3CCN(Cc4ccccc4O)C3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-8-15(9-7-14)19-21-22-20(25-19)17-10-11-23(13-17)12-16-4-2-3-5-18(16)24/h2-9,17,24H,10-13H2,1H3
InChIKeyCRPPNSPMBPZWFD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds4

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

2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 75615431) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
PubChem CID75615431
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCc1ccc(-c2nnc(C3CCN(Cc4ccccc4O)C3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-8-15(9-7-14)19-21-22-20(25-19)17-10-11-23(13-17)12-16-4-2-3-5-18(16)24/h2-9,17,24H,10-13H2,1H3
InChIKeyCRPPNSPMBPZWFD-UHFFFAOYSA-N
XLogP3.74
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 75615538
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol (CID 75615431) is 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol is Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4O)C3)o2)cc1.
What is the InChIKey of 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is CRPPNSPMBPZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-8-15(9-7-14)19-21-22-20(25-19)17-10-11-23(13-17)12-16-4-2-3-5-18(16)24/h2-9,17,24H,10-13H2,1H3.
What are the key properties of 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol?
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 335.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 75615431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).