[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol

C14H16F3NO2 — CID 170147160

IUPAC[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
SMILESCC(C)c1oc(C2=CC(C(F)(F)F)=CCC2)nc1CO
InChIInChI=1S/C14H16F3NO2/c1-8(2)12-11(7-19)18-13(20-12)9-4-3-5-10(6-9)14(15,16)17/h5-6,8,19H,3-4,7H2,1-2H3
InChIKeyHDBUESWYOIJIGP-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.96
Rot. Bonds3

About [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol

[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol (PubChem CID 170147160) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
PubChem CID170147160
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
SMILESCC(C)c1oc(C2=CC(C(F)(F)F)=CCC2)nc1CO
InChIInChI=1S/C14H16F3NO2/c1-8(2)12-11(7-19)18-13(20-12)9-4-3-5-10(6-9)14(15,16)17/h5-6,8,19H,3-4,7H2,1-2H3
InChIKeyHDBUESWYOIJIGP-UHFFFAOYSA-N
XLogP3.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol (CID 170147160) is [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol is CC(C)c1oc(C2=CC(C(F)(F)F)=CCC2)nc1CO.
What is the InChIKey of [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol?
The InChIKey is HDBUESWYOIJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-8(2)12-11(7-19)18-13(20-12)9-4-3-5-10(6-9)14(15,16)17/h5-6,8,19H,3-4,7H2,1-2H3.
What are the key properties of [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol?
[5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol has a molecular weight of 287.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 170147160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).