4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol

C15H26N2O2 — CID 125452997

IUPAC4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC(C)c1noc(CC2(O)CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N2O2/c1-10(2)12-5-7-15(18,8-6-12)9-13-16-14(11(3)4)17-19-13/h10-12,18H,5-9H2,1-4H3
InChIKeyKIEKLJYEPKJHGX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.31
Rot. Bonds4

About 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol

4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 125452997) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID125452997
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC(C)c1noc(CC2(O)CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N2O2/c1-10(2)12-5-7-15(18,8-6-12)9-13-16-14(11(3)4)17-19-13/h10-12,18H,5-9H2,1-4H3
InChIKeyKIEKLJYEPKJHGX-UHFFFAOYSA-N
XLogP3.31
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol (CID 125452997) is 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol is CC(C)c1noc(CC2(O)CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is KIEKLJYEPKJHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)12-5-7-15(18,8-6-12)9-13-16-14(11(3)4)17-19-13/h10-12,18H,5-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 125452997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).