[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone

C21H21N3O2 — CID 72847238

IUPAC[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3)c2)o1
InChIInChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyIKHAJTCUSZHKAO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.34
Rot. Bonds3

About [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone

[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 72847238) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
PubChem CID72847238
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3)c2)o1
InChIInChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyIKHAJTCUSZHKAO-UHFFFAOYSA-N
XLogP4.34
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10159882
N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10295475
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-{[3-(morpholin-4-ylmethyl)phenyl]methyl}benzamide
CID 25093466
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794

Frequently Asked Questions

What is the IUPAC name of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone (CID 72847238) is [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone is Cc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3)c2)o1.
What is the InChIKey of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is IKHAJTCUSZHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 72847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).