4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol

C21H21F2NO2 — CID 15390331

IUPAC4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1
InChIInChI=1S/C21H21F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,16,19,25H,8-12H2
InChIKeyWGTBOWXAMGBPOE-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.50
Rot. Bonds3

About 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol (PubChem CID 15390331) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol
PubChem CID15390331
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1
InChIInChI=1S/C21H21F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,16,19,25H,8-12H2
InChIKeyWGTBOWXAMGBPOE-UHFFFAOYSA-N
XLogP4.50
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol (CID 15390331) is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol is OC1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol?
The InChIKey is WGTBOWXAMGBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,16,19,25H,8-12H2.
What are the key properties of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol?
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol has a molecular weight of 357.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 15390331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).