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

C14H24N2O3 — CID 116780703

IUPAC1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCOC1(c2noc(CC(O)C(C)C)n2)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-10(2)11(17)9-12-15-13(16-19-12)14(18-3)7-5-4-6-8-14/h10-11,17H,4-9H2,1-3H3
InChIKeyPJNKRFFBQXQVQP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.43
Rot. Bonds5

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

1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (PubChem CID 116780703) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
PubChem CID116780703
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCOC1(c2noc(CC(O)C(C)C)n2)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-10(2)11(17)9-12-15-13(16-19-12)14(18-3)7-5-4-6-8-14/h10-11,17H,4-9H2,1-3H3
InChIKeyPJNKRFFBQXQVQP-UHFFFAOYSA-N
XLogP2.43
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 116741586
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116781208
1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116781217
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780737
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (CID 116780703) is 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is COC1(c2noc(CC(O)C(C)C)n2)CCCCC1.
What is the InChIKey of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The InChIKey is PJNKRFFBQXQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)11(17)9-12-15-13(16-19-12)14(18-3)7-5-4-6-8-14/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 116780703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).