3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C17H30N2O2 — CID 65415677

IUPAC3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(C2CCC(C(C)(C)C)CC2)no1)C(C)O
InChIInChI=1S/C17H30N2O2/c1-6-14(11(2)20)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyWDOSCPRBLVEJSU-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.26
Rot. Bonds4

About 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 65415677) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID65415677
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(C2CCC(C(C)(C)C)CC2)no1)C(C)O
InChIInChI=1S/C17H30N2O2/c1-6-14(11(2)20)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyWDOSCPRBLVEJSU-UHFFFAOYSA-N
XLogP4.26
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol with MolForge

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Related Compounds

2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65415674
(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 68820972
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79666639
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 65415677) is 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(C2CCC(C(C)(C)C)CC2)no1)C(C)O.
What is the InChIKey of 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is WDOSCPRBLVEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-14(11(2)20)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-14,20H,6-10H2,1-5H3.
What are the key properties of 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 65415677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).