1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C16H23N3O3 — CID 134073200

IUPAC1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1cnoc1C)C2
InChIInChI=1S/C16H23N3O3/c1-3-19-14(20)6-4-7-16(19)8-5-9-18(11-16)15(21)13-10-17-22-12(13)2/h10H,3-9,11H2,1-2H3
InChIKeySXNXCGAIGFLNBQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.99
Rot. Bonds2

About 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 134073200) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID134073200
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1cnoc1C)C2
InChIInChI=1S/C16H23N3O3/c1-3-19-14(20)6-4-7-16(19)8-5-9-18(11-16)15(21)13-10-17-22-12(13)2/h10H,3-9,11H2,1-2H3
InChIKeySXNXCGAIGFLNBQ-UHFFFAOYSA-N
XLogP1.99
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739664
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495478
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070508
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 134073200) is 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCCC12CCCN(C(=O)c1cnoc1C)C2.
What is the InChIKey of 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is SXNXCGAIGFLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-19-14(20)6-4-7-16(19)8-5-9-18(11-16)15(21)13-10-17-22-12(13)2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 134073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).