[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol

C17H21NO2 — CID 82371560

IUPAC[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C3CCCCC3)cc2)c1CO
InChIInChI=1S/C17H21NO2/c1-12-16(11-19)17(18-20-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3
InChIKeyLLJREZYCWITUQP-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.19
Rot. Bonds3

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

[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (PubChem CID 82371560) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
PubChem CID82371560
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C3CCCCC3)cc2)c1CO
InChIInChI=1S/C17H21NO2/c1-12-16(11-19)17(18-20-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3
InChIKeyLLJREZYCWITUQP-UHFFFAOYSA-N
XLogP4.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (CID 82371560) is [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is Cc1onc(-c2ccc(C3CCCCC3)cc2)c1CO.
What is the InChIKey of [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The InChIKey is LLJREZYCWITUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-16(11-19)17(18-20-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3.
What are the key properties of [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 82371560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).