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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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).