2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole

C16H27N3O — CID 106376763

IUPAC2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1ncc(C)o1
InChIInChI=1S/C16H27N3O/c1-3-14-10-18-16(7-5-4-6-8-16)12-19(14)11-15-17-9-13(2)20-15/h9,14,18H,3-8,10-12H2,1-2H3
InChIKeyPUSSXTDZQLLBDB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.87
Rot. Bonds3

About 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole

2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376763) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376763
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1ncc(C)o1
InChIInChI=1S/C16H27N3O/c1-3-14-10-18-16(7-5-4-6-8-16)12-19(14)11-15-17-9-13(2)20-15/h9,14,18H,3-8,10-12H2,1-2H3
InChIKeyPUSSXTDZQLLBDB-UHFFFAOYSA-N
XLogP2.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64948217
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 104812527
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
8-ethyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016543
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole (CID 106376763) is 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole is CCC1CNC2(CCCCC2)CN1Cc1ncc(C)o1.
What is the InChIKey of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is PUSSXTDZQLLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-14-10-18-16(7-5-4-6-8-16)12-19(14)11-15-17-9-13(2)20-15/h9,14,18H,3-8,10-12H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole?
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 277.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).