3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole

C14H20N2O3 — CID 91662372

IUPAC3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole
SMILESC1COC2(CCC(Cc3nc(C4CC4)no3)CC2)O1
InChIInChI=1S/C14H20N2O3/c1-2-11(1)13-15-12(19-16-13)9-10-3-5-14(6-4-10)17-7-8-18-14/h10-11H,1-9H2
InChIKeyJWYWPDHEOXAABV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.42
Rot. Bonds3

About 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole

3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole (PubChem CID 91662372) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole
PubChem CID91662372
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole
SMILESC1COC2(CCC(Cc3nc(C4CC4)no3)CC2)O1
InChIInChI=1S/C14H20N2O3/c1-2-11(1)13-15-12(19-16-13)9-10-3-5-14(6-4-10)17-7-8-18-14/h10-11H,1-9H2
InChIKeyJWYWPDHEOXAABV-UHFFFAOYSA-N
XLogP2.42
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 71930561
5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119052804
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 79608659
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
CID 125454590
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole (CID 91662372) is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole is C1COC2(CCC(Cc3nc(C4CC4)no3)CC2)O1.
What is the InChIKey of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JWYWPDHEOXAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-11(1)13-15-12(19-16-13)9-10-3-5-14(6-4-10)17-7-8-18-14/h10-11H,1-9H2.
What are the key properties of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 264.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91662372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).