2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol

C19H22F3NO2 — CID 25132011

IUPAC2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1
InChIInChI=1S/C19H22F3NO2/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22/h8-11,13,24H,3-7H2,1-2H3
InChIKeyRINALXBYCTWDAD-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.47
Rot. Bonds3

About 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 25132011) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID25132011
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1
InChIInChI=1S/C19H22F3NO2/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22/h8-11,13,24H,3-7H2,1-2H3
InChIKeyRINALXBYCTWDAD-UHFFFAOYSA-N
XLogP5.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol (CID 25132011) is 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol is Cc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1.
What is the InChIKey of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RINALXBYCTWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22/h8-11,13,24H,3-7H2,1-2H3.
What are the key properties of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 353.38 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 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 25132011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).