8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C18H25N3O4 — CID 97188197

IUPAC8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ocnc1C(=O)N1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)C2
InChIInChI=1S/C18H25N3O4/c1-13-16(19-12-25-13)17(23)20-6-4-18(5-7-20)9-15(22)21(11-18)10-14-3-2-8-24-14/h12,14H,2-11H2,1H3/t14-/m0/s1
InChIKeyYCFNSXHZFRJJNH-AWEZNQCLSA-N
MW347.42 g/mol
LogP1.62
Rot. Bonds3

About 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97188197) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97188197
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ocnc1C(=O)N1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)C2
InChIInChI=1S/C18H25N3O4/c1-13-16(19-12-25-13)17(23)20-6-4-18(5-7-20)9-15(22)21(11-18)10-14-3-2-8-24-14/h12,14H,2-11H2,1H3/t14-/m0/s1
InChIKeyYCFNSXHZFRJJNH-AWEZNQCLSA-N
XLogP1.62
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2,5-dimethylfuran-3-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191551
2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97196956
8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97192442
9-(5-methylpyridine-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121852
8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97194827
9-(2-ethylpyrimidine-5-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137793
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
9-(3,5-difluoropyridine-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97147321
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
9-[6-(dimethylamino)pyridine-3-carbonyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127843
9-(4-methyl-1H-pyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97139222
9-(2-hydroxy-4-methylbenzoyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97120358

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97188197) is 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1ocnc1C(=O)N1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)C2.
What is the InChIKey of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YCFNSXHZFRJJNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13-16(19-12-25-13)17(23)20-6-4-18(5-7-20)9-15(22)21(11-18)10-14-3-2-8-24-14/h12,14H,2-11H2,1H3/t14-/m0/s1.
What are the key properties of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 347.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97188197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).