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

C14H17N3O — CID 46342002

IUPAC5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCC1CCCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O/c1-11-6-5-9-17(10-11)14-15-13(16-18-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyMEMPFRYXNWDYSM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds2

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

5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 46342002) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID46342002
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCC1CCCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O/c1-11-6-5-9-17(10-11)14-15-13(16-18-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyMEMPFRYXNWDYSM-UHFFFAOYSA-N
XLogP2.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 70711680
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 42955986
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304
1-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propanoyl-1,4-diazepane-6-carboxylic acid
CID 86287304
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-oxazepan-6-yl]methanol
CID 70705763
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093
[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine
CID 167755991
(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
CID 97278250

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole (CID 46342002) is 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole is CC1CCCN(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MEMPFRYXNWDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-6-5-9-17(10-11)14-15-13(16-18-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole?
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46342002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).