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

C18H14F3N5O2 — CID 68664428

IUPAC2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CCc2nnc(-c3ccc4n[nH]nc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N5O2/c1-27-15-6-2-10(8-12(15)18(19,20)21)3-7-16-24-25-17(28-16)11-4-5-13-14(9-11)23-26-22-13/h2,4-6,8-9H,3,7H2,1H3,(H,22,23,26)
InChIKeyQTNVSHXPLMGUCV-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.82
Rot. Bonds5

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

2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 68664428) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID68664428
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CCc2nnc(-c3ccc4n[nH]nc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N5O2/c1-27-15-6-2-10(8-12(15)18(19,20)21)3-7-16-24-25-17(28-16)11-4-5-13-14(9-11)23-26-22-13/h2,4-6,8-9H,3,7H2,1H3,(H,22,23,26)
InChIKeyQTNVSHXPLMGUCV-UHFFFAOYSA-N
XLogP3.82
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-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-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
6-[5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)-1H-1,2,3-benzotriazole
CID 68663267
2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664130
3-[5-(1-Benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]chromone
CID 129763657
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[2-[4-(5-Methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 170847900
(2,4-dimethylphenoxy)methyl 2H-benzotriazole-5-carboxylate
CID 20705926
4-(2,4-dimethylphenoxy)butyl 2H-benzotriazole-5-carboxylate
CID 22948434
4-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]butyl 2H-benzotriazole-5-carboxylate
CID 23535285
3-[2-[5-(1H-benzotriazol-5-yl)-1,3,4-oxadiazol-2-yl]ethyl]benzonitrile
CID 68663953
N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
CID 24535861
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 24563995

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 68664428) is 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is COc1ccc(CCc2nnc(-c3ccc4n[nH]nc4c3)o2)cc1C(F)(F)F.
What is the InChIKey of 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is QTNVSHXPLMGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c1-27-15-6-2-10(8-12(15)18(19,20)21)3-7-16-24-25-17(28-16)11-4-5-13-14(9-11)23-26-22-13/h2,4-6,8-9H,3,7H2,1H3,(H,22,23,26).
What are the key properties of 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 389.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68664428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).