1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone

C17H25N3O6 — CID 172884520

IUPAC1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCOC2(C1)CN(C(=O)c1c(C)noc1C)CCCO2
InChIInChI=1S/C17H25N3O6/c1-12-15(13(2)26-18-12)16(22)20-5-4-7-24-17(11-20)10-19(6-8-25-17)14(21)9-23-3/h4-11H2,1-3H3
InChIKeyFGDALHVMHOPBCI-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.36
Rot. Bonds3

About 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone

1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone (PubChem CID 172884520) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone
PubChem CID172884520
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCOC2(C1)CN(C(=O)c1c(C)noc1C)CCCO2
InChIInChI=1S/C17H25N3O6/c1-12-15(13(2)26-18-12)16(22)20-5-4-7-24-17(11-20)10-19(6-8-25-17)14(21)9-23-3/h4-11H2,1-3H3
InChIKeyFGDALHVMHOPBCI-UHFFFAOYSA-N
XLogP0.36
TPSA94.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone?
The IUPAC name of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone (CID 172884520) is 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone?
The canonical SMILES for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone is COCC(=O)N1CCOC2(C1)CN(C(=O)c1c(C)noc1C)CCCO2.
What is the InChIKey of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone?
The InChIKey is FGDALHVMHOPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-12-15(13(2)26-18-12)16(22)20-5-4-7-24-17(11-20)10-19(6-8-25-17)14(21)9-23-3/h4-11H2,1-3H3.
What are the key properties of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone?
1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone has a molecular weight of 367.40 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone is sourced from PubChem (CID 172884520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).