1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

C20H29N3O4 — CID 131692904

IUPAC1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESCCCc1onc(C)c1C(=O)N1CC2(CCC(CN3CCCC3=O)CO2)C1
InChIInChI=1S/C20H29N3O4/c1-3-5-16-18(14(2)21-27-16)19(25)23-12-20(13-23)8-7-15(11-26-20)10-22-9-4-6-17(22)24/h15H,3-13H2,1-2H3
InChIKeyXGVRBJZHLMTTFE-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.18
Rot. Bonds5

About 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (PubChem CID 131692904) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
PubChem CID131692904
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESCCCc1onc(C)c1C(=O)N1CC2(CCC(CN3CCCC3=O)CO2)C1
InChIInChI=1S/C20H29N3O4/c1-3-5-16-18(14(2)21-27-16)19(25)23-12-20(13-23)8-7-15(11-26-20)10-22-9-4-6-17(22)24/h15H,3-13H2,1-2H3
InChIKeyXGVRBJZHLMTTFE-UHFFFAOYSA-N
XLogP2.18
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693247
1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693487
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693400
1-[[2-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693079
11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135101012
1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 126791219
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
(3,5-dimethyl-1,2-oxazol-4-yl)-[(7S)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124834860
(3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692877
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
CID 131692295
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (CID 131692904) is 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is CCCc1onc(C)c1C(=O)N1CC2(CCC(CN3CCCC3=O)CO2)C1.
What is the InChIKey of 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is XGVRBJZHLMTTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-5-16-18(14(2)21-27-16)19(25)23-12-20(13-23)8-7-15(11-26-20)10-22-9-4-6-17(22)24/h15H,3-13H2,1-2H3.
What are the key properties of 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131692904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).