9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

C22H27N3O4 — CID 26343804

IUPAC9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
SMILESCCc1noc(C)c1C(=O)N1CC(=O)N(c2ccc(OC)cc2)C2(CCCC2)C1
InChIInChI=1S/C22H27N3O4/c1-4-18-20(15(2)29-23-18)21(27)24-13-19(26)25(22(14-24)11-5-6-12-22)16-7-9-17(28-3)10-8-16/h7-10H,4-6,11-14H2,1-3H3
InChIKeyKJUNLXPERBXNMP-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.36
Rot. Bonds4

About 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one (PubChem CID 26343804) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
PubChem CID26343804
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
SMILESCCc1noc(C)c1C(=O)N1CC(=O)N(c2ccc(OC)cc2)C2(CCCC2)C1
InChIInChI=1S/C22H27N3O4/c1-4-18-20(15(2)29-23-18)21(27)24-13-19(26)25(22(14-24)11-5-6-12-22)16-7-9-17(28-3)10-8-16/h7-10H,4-6,11-14H2,1-3H3
InChIKeyKJUNLXPERBXNMP-UHFFFAOYSA-N
XLogP3.36
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one?
The IUPAC name of 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one (CID 26343804) is 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one is CCc1noc(C)c1C(=O)N1CC(=O)N(c2ccc(OC)cc2)C2(CCCC2)C1.
What is the InChIKey of 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one?
The InChIKey is KJUNLXPERBXNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-18-20(15(2)29-23-18)21(27)24-13-19(26)25(22(14-24)11-5-6-12-22)16-7-9-17(28-3)10-8-16/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one?
9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one has a molecular weight of 397.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 26343804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).