(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one

C17H28N2O2 — CID 58860994

IUPAC(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
SMILESCCc1noc([C@H](CCCC2CCCCC2)CC(C)=O)n1
InChIInChI=1S/C17H28N2O2/c1-3-16-18-17(21-19-16)15(12-13(2)20)11-7-10-14-8-5-4-6-9-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyMUUSIPBCDHSBHV-OAHLLOKOSA-N
MW292.42 g/mol
LogP4.45
Rot. Bonds8

About (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one

(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one (PubChem CID 58860994) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
PubChem CID58860994
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
SMILESCCc1noc([C@H](CCCC2CCCCC2)CC(C)=O)n1
InChIInChI=1S/C17H28N2O2/c1-3-16-18-17(21-19-16)15(12-13(2)20)11-7-10-14-8-5-4-6-9-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyMUUSIPBCDHSBHV-OAHLLOKOSA-N
XLogP4.45
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one?
The IUPAC name of (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one (CID 58860994) is (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one.
What is the SMILES notation for (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one?
The canonical SMILES for (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one is CCc1noc([C@H](CCCC2CCCCC2)CC(C)=O)n1.
What is the InChIKey of (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one?
The InChIKey is MUUSIPBCDHSBHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-16-18-17(21-19-16)15(12-13(2)20)11-7-10-14-8-5-4-6-9-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one?
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one is sourced from PubChem (CID 58860994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).