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

C21H23N3O2 — CID 120839428

IUPAC5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
SMILESC[C@H]1C[C@@H](c2nc(-c3ccc(COc4ccccc4)cc3)no2)CCN1
InChIInChI=1S/C21H23N3O2/c1-15-13-18(11-12-22-15)21-23-20(24-26-21)17-9-7-16(8-10-17)14-25-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18-/m0/s1
InChIKeyZEILTSXGMLUZEE-YJBOKZPZSA-N
MW349.43 g/mol
LogP4.17
Rot. Bonds5

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

5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 120839428) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
PubChem CID120839428
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
SMILESC[C@H]1C[C@@H](c2nc(-c3ccc(COc4ccccc4)cc3)no2)CCN1
InChIInChI=1S/C21H23N3O2/c1-15-13-18(11-12-22-15)21-23-20(24-26-21)17-9-7-16(8-10-17)14-25-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18-/m0/s1
InChIKeyZEILTSXGMLUZEE-YJBOKZPZSA-N
XLogP4.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851402
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
3-(3-bromo-4-methylphenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 107916321
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
(E)-N-[(4-phenylphenyl)methoxy]-1-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]ethanimine;hydrochloride
CID 172962463
3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole (CID 120839428) is 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole is C[C@H]1C[C@@H](c2nc(-c3ccc(COc4ccccc4)cc3)no2)CCN1.
What is the InChIKey of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZEILTSXGMLUZEE-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-13-18(11-12-22-15)21-23-20(24-26-21)17-9-7-16(8-10-17)14-25-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole?
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 349.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120839428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).