(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

C16H25N3O4 — CID 124622170

IUPAC(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@H]2COCCN2CC2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C16H25N3O4/c1-12-17-15(23-18-12)14-11-20-7-6-19(14)10-13-2-4-16(5-3-13)21-8-9-22-16/h13-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyVEBDFZHBULGRTR-CQSZACIVSA-N
MW323.39 g/mol
LogP1.68
Rot. Bonds3

About (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 124622170) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID124622170
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@H]2COCCN2CC2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C16H25N3O4/c1-12-17-15(23-18-12)14-11-20-7-6-19(14)10-13-2-4-16(5-3-13)21-8-9-22-16/h13-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyVEBDFZHBULGRTR-CQSZACIVSA-N
XLogP1.68
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 124622170) is (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1noc([C@H]2COCCN2CC2CCC3(CC2)OCCO3)n1.
What is the InChIKey of (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is VEBDFZHBULGRTR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-12-17-15(23-18-12)14-11-20-7-6-19(14)10-13-2-4-16(5-3-13)21-8-9-22-16/h13-14H,2-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 323.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 124622170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).