7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H29N3O3 — CID 45241079

IUPAC7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C19H29N3O3/c1-5-14-15(20-13-25-14)16(23)21-10-8-19(12-21)7-6-9-22(17(19)24)11-18(2,3)4/h13H,5-12H2,1-4H3
InChIKeyBCVQMNWVXGOESP-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.74
Rot. Bonds3

About 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45241079) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45241079
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C19H29N3O3/c1-5-14-15(20-13-25-14)16(23)21-10-8-19(12-21)7-6-9-22(17(19)24)11-18(2,3)4/h13H,5-12H2,1-4H3
InChIKeyBCVQMNWVXGOESP-UHFFFAOYSA-N
XLogP2.74
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45241079) is 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BCVQMNWVXGOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-14-15(20-13-25-14)16(23)21-10-8-19(12-21)7-6-9-22(17(19)24)11-18(2,3)4/h13H,5-12H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45241079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).