2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole

C19H17F3N2O2 — CID 146469102

IUPAC2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOC(Cc1nnc(C)o1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O2/c1-12-23-24-18(26-12)11-17(25-2)15-5-3-4-14(10-15)13-6-8-16(9-7-13)19(20,21)22/h3-10,17H,11H2,1-2H3
InChIKeyDNZLECYKVXNCLV-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.99
Rot. Bonds5

About 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole

2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 146469102) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID146469102
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOC(Cc1nnc(C)o1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O2/c1-12-23-24-18(26-12)11-17(25-2)15-5-3-4-14(10-15)13-6-8-16(9-7-13)19(20,21)22/h3-10,17H,11H2,1-2H3
InChIKeyDNZLECYKVXNCLV-UHFFFAOYSA-N
XLogP4.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-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

2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 126811810
1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469100
[1-[3-(3,4-Difluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469108
2-(1,3,4-Oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469110
1-[3-[2,4-Bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469113
1-[2-Chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469115
[1-[5-(4-Chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469116
(1R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469117
2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469119
1-[2-Fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
CID 146469120
2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469121
1-[2-Fluoro-5-(3,3,3-trifluoropropyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469123

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole (CID 146469102) is 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole is COC(Cc1nnc(C)o1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is DNZLECYKVXNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-23-24-18(26-12)11-17(25-2)15-5-3-4-14(10-15)13-6-8-16(9-7-13)19(20,21)22/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole?
2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 362.35 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 146469102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).