9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H21N3O5 — CID 56886359

IUPAC9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCOCc1c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)noc1C
InChIInChI=1S/C15H21N3O5/c1-10-11(7-21-3)12(16-23-10)13(19)18-6-4-5-15(9-18)8-17(2)14(20)22-15/h4-9H2,1-3H3
InChIKeyNTEKHBYZPAMZPO-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.19
Rot. Bonds3

About 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56886359) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56886359
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCOCc1c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)noc1C
InChIInChI=1S/C15H21N3O5/c1-10-11(7-21-3)12(16-23-10)13(19)18-6-4-5-15(9-18)8-17(2)14(20)22-15/h4-9H2,1-3H3
InChIKeyNTEKHBYZPAMZPO-UHFFFAOYSA-N
XLogP1.19
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56886359) is 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is COCc1c(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)noc1C.
What is the InChIKey of 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NTEKHBYZPAMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-10-11(7-21-3)12(16-23-10)13(19)18-6-4-5-15(9-18)8-17(2)14(20)22-15/h4-9H2,1-3H3.
What are the key properties of 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 323.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56886359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).