9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H19N3O4 — CID 162629408

IUPAC9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(CC(=O)N2CCC3(CC2)CNC(=O)CO3)on1
InChIInChI=1S/C14H19N3O4/c1-10-6-11(21-16-10)7-13(19)17-4-2-14(3-5-17)9-15-12(18)8-20-14/h6H,2-5,7-9H2,1H3,(H,15,18)
InChIKeyGLFPHMWBEHRKEF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.03
Rot. Bonds2

About 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162629408) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162629408
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(CC(=O)N2CCC3(CC2)CNC(=O)CO3)on1
InChIInChI=1S/C14H19N3O4/c1-10-6-11(21-16-10)7-13(19)17-4-2-14(3-5-17)9-15-12(18)8-20-14/h6H,2-5,7-9H2,1H3,(H,15,18)
InChIKeyGLFPHMWBEHRKEF-UHFFFAOYSA-N
XLogP0.03
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 165417299
9-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317293
9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638587
formic acid;1'-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 166598569
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414
9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471371
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
2-(3-methyl-1,2-oxazol-5-yl)-1-(4-pent-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 134707125
2-(4,6-dimethylpyridine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 166306717

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162629408) is 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cc(CC(=O)N2CCC3(CC2)CNC(=O)CO3)on1.
What is the InChIKey of 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GLFPHMWBEHRKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-6-11(21-16-10)7-13(19)17-4-2-14(3-5-17)9-15-12(18)8-20-14/h6H,2-5,7-9H2,1H3,(H,15,18).
What are the key properties of 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 293.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162629408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).