3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one

C14H20N2O3 — CID 106473905

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one
SMILESO=C1CCOCC1c1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H20N2O3/c17-12-7-8-18-9-11(12)14-15-13(16-19-14)10-5-3-1-2-4-6-10/h10-11H,1-9H2
InChIKeyWGDPLMGKJZKCGO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds2

About 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one (PubChem CID 106473905) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one
PubChem CID106473905
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one
SMILESO=C1CCOCC1c1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H20N2O3/c17-12-7-8-18-9-11(12)14-15-13(16-19-14)10-5-3-1-2-4-6-10/h10-11H,1-9H2
InChIKeyWGDPLMGKJZKCGO-UHFFFAOYSA-N
XLogP2.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 128922331
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473998
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one
CID 83201031
3-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 107504613
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 80639037
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473824
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473823
3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 136696552
2-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 103346896
3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473984
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one (CID 106473905) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one is O=C1CCOCC1c1nc(C2CCCCCC2)no1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one?
The InChIKey is WGDPLMGKJZKCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12-7-8-18-9-11(12)14-15-13(16-19-14)10-5-3-1-2-4-6-10/h10-11H,1-9H2.
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one has a molecular weight of 264.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one is sourced from PubChem (CID 106473905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).