N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C13H20N2O3 — CID 79120082

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ccno1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O3/c1-15(10-12-4-7-14-18-12)11-2-5-13(6-3-11)16-8-9-17-13/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyOLVIBKWKWMGTQA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds3

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120082) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120082
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ccno1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O3/c1-15(10-12-4-7-14-18-12)11-2-5-13(6-3-11)16-8-9-17-13/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyOLVIBKWKWMGTQA-UHFFFAOYSA-N
XLogP1.79
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120082) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1ccno1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OLVIBKWKWMGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(10-12-4-7-14-18-12)11-2-5-13(6-3-11)16-8-9-17-13/h4,7,11H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 252.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).