[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C24H21F3N6O3 — CID 154836403

IUPAC[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H21F3N6O3/c1-14-20(29-31-33(14)18-7-9-19(10-8-18)35-24(26)27)23(34)32-11-3-5-16(13-32)22-28-21(30-36-22)15-4-2-6-17(25)12-15/h2,4,6-10,12,16,24H,3,5,11,13H2,1H3
InChIKeyWMDOUFHTULPORG-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.39
Rot. Bonds6

About [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 154836403) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID154836403
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC Name[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H21F3N6O3/c1-14-20(29-31-33(14)18-7-9-19(10-8-18)35-24(26)27)23(34)32-11-3-5-16(13-32)22-28-21(30-36-22)15-4-2-6-17(25)12-15/h2,4,6-10,12,16,24H,3,5,11,13H2,1H3
InChIKeyWMDOUFHTULPORG-UHFFFAOYSA-N
XLogP4.39
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone 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

1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 47092212
(3-fluorophenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226227
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032
3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 97082956
1,4-diazepan-1-yl-[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 119417545
[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1456111

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 154836403) is [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is WMDOUFHTULPORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c1-14-20(29-31-33(14)18-7-9-19(10-8-18)35-24(26)27)23(34)32-11-3-5-16(13-32)22-28-21(30-36-22)15-4-2-6-17(25)12-15/h2,4,6-10,12,16,24H,3,5,11,13H2,1H3.
What are the key properties of [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 498.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 154836403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).