cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol

C17H21NO3 — CID 69163603

IUPACcyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol
SMILESOCc1cc(C(O)(c2ccccc2)C2CCCCC2)on1
InChIInChI=1S/C17H21NO3/c19-12-15-11-16(21-18-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,19-20H,2,5-6,9-10,12H2
InChIKeyAJWIGWJWZVAAMV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.98
Rot. Bonds4

About cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol

cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol (PubChem CID 69163603) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol
PubChem CID69163603
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namecyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol
SMILESOCc1cc(C(O)(c2ccccc2)C2CCCCC2)on1
InChIInChI=1S/C17H21NO3/c19-12-15-11-16(21-18-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,19-20H,2,5-6,9-10,12H2
InChIKeyAJWIGWJWZVAAMV-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol?
The IUPAC name of cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol (CID 69163603) is cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol.
What is the SMILES notation for cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol?
The canonical SMILES for cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol is OCc1cc(C(O)(c2ccccc2)C2CCCCC2)on1.
What is the InChIKey of cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol?
The InChIKey is AJWIGWJWZVAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-12-15-11-16(21-18-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,19-20H,2,5-6,9-10,12H2.
What are the key properties of cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol?
cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol has a molecular weight of 287.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol is sourced from PubChem (CID 69163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).