(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol

C17H12ClF3N2O2 — CID 175726291

IUPAC(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1nnc(Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H12ClF3N2O2/c18-13-7-3-11(4-8-13)15(24)16-23-22-14(25-16)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,15,24H,9H2
InChIKeyCKIRIACRUXIWSU-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.41
Rot. Bonds4

About (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol

(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 175726291) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID175726291
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1nnc(Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H12ClF3N2O2/c18-13-7-3-11(4-8-13)15(24)16-23-22-14(25-16)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,15,24H,9H2
InChIKeyCKIRIACRUXIWSU-UHFFFAOYSA-N
XLogP4.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62115615
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
2-[1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 19552624
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-(4-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 55443484
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79433390
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175359378
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol (CID 175726291) is (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol is OC(c1ccc(Cl)cc1)c1nnc(Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is CKIRIACRUXIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-13-7-3-11(4-8-13)15(24)16-23-22-14(25-16)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,15,24H,9H2.
What are the key properties of (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 368.74 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 175726291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).