7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C17H27N3O2 — CID 176505485

IUPAC7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(CCc3c(C)noc3C)C2)C1=O
InChIInChI=1S/C17H27N3O2/c1-4-8-20-11-7-17(16(20)21)6-10-19(12-17)9-5-15-13(2)18-22-14(15)3/h4-12H2,1-3H3
InChIKeyPPJNOJBBLVQWHT-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.17
Rot. Bonds5

About 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176505485) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176505485
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(CCc3c(C)noc3C)C2)C1=O
InChIInChI=1S/C17H27N3O2/c1-4-8-20-11-7-17(16(20)21)6-10-19(12-17)9-5-15-13(2)18-22-14(15)3/h4-12H2,1-3H3
InChIKeyPPJNOJBBLVQWHT-UHFFFAOYSA-N
XLogP2.17
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175644770
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395689
(5R)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97149425
(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140917
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
CID 171913674
2-(1,3-benzodioxol-5-yl)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472986
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642032
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
CID 95982249
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72931062

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 176505485) is 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(CCc3c(C)noc3C)C2)C1=O.
What is the InChIKey of 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PPJNOJBBLVQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-8-20-11-7-17(16(20)21)6-10-19(12-17)9-5-15-13(2)18-22-14(15)3/h4-12H2,1-3H3.
What are the key properties of 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).