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

C17H28N2O2 — CID 65415674

IUPAC1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H28N2O2/c1-11(2)14(20)10-15-18-16(19-21-15)12-6-8-13(9-7-12)17(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyXRSMPPBEPMUFGA-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.16
Rot. Bonds4

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

1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one (PubChem CID 65415674) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
PubChem CID65415674
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H28N2O2/c1-11(2)14(20)10-15-18-16(19-21-15)12-6-8-13(9-7-12)17(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyXRSMPPBEPMUFGA-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65412635
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79841806
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65402209
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 55202191
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65351798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one (CID 65415674) is 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one is CC(C)C(=O)Cc1nc(C2CCC(C(C)(C)C)CC2)no1.
What is the InChIKey of 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one?
The InChIKey is XRSMPPBEPMUFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)14(20)10-15-18-16(19-21-15)12-6-8-13(9-7-12)17(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one?
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one is sourced from PubChem (CID 65415674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).