[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol

C19H16Cl2F3NO2 — CID 53371509

IUPAC[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CO
InChIInChI=1S/C19H16Cl2F3NO2/c1-11-5-12(3-4-13(11)10-26)17-9-18(19(22,23)24,27-25(17)2)14-6-15(20)8-16(21)7-14/h3-9,26H,10H2,1-2H3
InChIKeyDVBVUOGMFKHYAF-UHFFFAOYSA-N
MW418.24 g/mol
LogP5.47
Rot. Bonds3

About [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol

[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol (PubChem CID 53371509) has the molecular formula C19H16Cl2F3NO2 and a molecular weight of 418.24 g/mol. Its IUPAC name is [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol
PubChem CID53371509
Molecular FormulaC19H16Cl2F3NO2
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CO
InChIInChI=1S/C19H16Cl2F3NO2/c1-11-5-12(3-4-13(11)10-26)17-9-18(19(22,23)24,27-25(17)2)14-6-15(20)8-16(21)7-14/h3-9,26H,10H2,1-2H3
InChIKeyDVBVUOGMFKHYAF-UHFFFAOYSA-N
XLogP5.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol?
The IUPAC name of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol (CID 53371509) is [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol is Cc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CO.
What is the InChIKey of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol?
The InChIKey is DVBVUOGMFKHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO2/c1-11-5-12(3-4-13(11)10-26)17-9-18(19(22,23)24,27-25(17)2)14-6-15(20)8-16(21)7-14/h3-9,26H,10H2,1-2H3.
What are the key properties of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol?
[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol has a molecular weight of 418.24 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanol is sourced from PubChem (CID 53371509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).