[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol

C11H7ClF3NO2 — CID 146438032

IUPAC[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1
InChIInChI=1S/C11H7ClF3NO2/c12-9-2-1-6(3-8(9)11(13,14)15)10-4-7(5-17)16-18-10/h1-4,17H,5H2
InChIKeyWZYDHUNWPJJPDO-UHFFFAOYSA-N
MW277.63 g/mol
LogP3.51
Rot. Bonds2

About [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol

[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol (PubChem CID 146438032) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
PubChem CID146438032
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC Name[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1
InChIInChI=1S/C11H7ClF3NO2/c12-9-2-1-6(3-8(9)11(13,14)15)10-4-7(5-17)16-18-10/h1-4,17H,5H2
InChIKeyWZYDHUNWPJJPDO-UHFFFAOYSA-N
XLogP3.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
CID 82048699
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol
CID 89024193
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol
CID 59007683
5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
CID 1484778
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol
CID 151597822
2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 82477361
[5-(4-methyl-3-nitrophenyl)-1,2-oxazol-3-yl]methanol
CID 79017270
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287

Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol (CID 146438032) is [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol is OCc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1.
What is the InChIKey of [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is WZYDHUNWPJJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c12-9-2-1-6(3-8(9)11(13,14)15)10-4-7(5-17)16-18-10/h1-4,17H,5H2.
What are the key properties of [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol?
[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 277.63 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 146438032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).