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

C17H28N2O2 — CID 65412634

IUPAC2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H28N2O2/c1-6-14(20)11(2)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyDEQWRCVCABRADW-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.47
Rot. Bonds4

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

2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (PubChem CID 65412634) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
PubChem CID65412634
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H28N2O2/c1-6-14(20)11(2)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyDEQWRCVCABRADW-UHFFFAOYSA-N
XLogP4.47
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65415674
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65412635
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 79088934
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The IUPAC name of 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (CID 65412634) is 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The canonical SMILES for 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is CCC(=O)C(C)c1nc(C2CCC(C(C)(C)C)CC2)no1.
What is the InChIKey of 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The InChIKey is DEQWRCVCABRADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-14(20)11(2)16-18-15(19-21-16)12-7-9-13(10-8-12)17(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one has a molecular weight of 292.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is sourced from PubChem (CID 65412634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).