5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole

C20H21N3O2 — CID 70235898

IUPAC5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCN1CCC(Oc2ccccc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H21N3O2/c1-23-13-11-16(12-14-23)24-18-10-6-5-9-17(18)20-21-19(22-25-20)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyGXHVLAXVVQQRFG-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.88
Rot. Bonds4

About 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 70235898) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID70235898
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCN1CCC(Oc2ccccc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H21N3O2/c1-23-13-11-16(12-14-23)24-18-10-6-5-9-17(18)20-21-19(22-25-20)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyGXHVLAXVVQQRFG-UHFFFAOYSA-N
XLogP3.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 15390901
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 91920081
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
CID 90895392
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole (CID 70235898) is 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole is CN1CCC(Oc2ccccc2-c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GXHVLAXVVQQRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-13-11-16(12-14-23)24-18-10-6-5-9-17(18)20-21-19(22-25-20)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3.
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 70235898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).