[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C16H20N2O3 — CID 116781675

IUPAC[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCOC1(c2noc(C(O)c3ccccc3)n2)CCCCC1
InChIInChI=1S/C16H20N2O3/c1-20-16(10-6-3-7-11-16)15-17-14(21-18-15)13(19)12-8-4-2-5-9-12/h2,4-5,8-9,13,19H,3,6-7,10-11H2,1H3
InChIKeyIMTSZVFBNCGPJO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.96
Rot. Bonds4

About [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 116781675) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID116781675
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCOC1(c2noc(C(O)c3ccccc3)n2)CCCCC1
InChIInChI=1S/C16H20N2O3/c1-20-16(10-6-3-7-11-16)15-17-14(21-18-15)13(19)12-8-4-2-5-9-12/h2,4-5,8-9,13,19H,3,6-7,10-11H2,1H3
InChIKeyIMTSZVFBNCGPJO-UHFFFAOYSA-N
XLogP2.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 116781675) is [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is COC1(c2noc(C(O)c3ccccc3)n2)CCCCC1.
What is the InChIKey of [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is IMTSZVFBNCGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-16(10-6-3-7-11-16)15-17-14(21-18-15)13(19)12-8-4-2-5-9-12/h2,4-5,8-9,13,19H,3,6-7,10-11H2,1H3.
What are the key properties of [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 288.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 116781675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).