(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H19N3O4 — CID 95713149

IUPAC(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCc1oncc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1
InChIInChI=1S/C14H19N3O4/c1-3-4-11-10(7-15-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyLZZJOYPKOGWVTJ-CQSZACIVSA-N
MW293.32 g/mol
LogP1.29
Rot. Bonds3

About (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95713149) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95713149
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCc1oncc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1
InChIInChI=1S/C14H19N3O4/c1-3-4-11-10(7-15-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyLZZJOYPKOGWVTJ-CQSZACIVSA-N
XLogP1.29
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886086
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
(5S)-7-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95724274
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
(5S)-7-(1-tert-butylpyrrole-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95716743

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95713149) is (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CCCc1oncc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1.
What is the InChIKey of (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is LZZJOYPKOGWVTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-4-11-10(7-15-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95713149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).