N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C14H22N2O3 — CID 106370958

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1cnc(CNC2CCOC3(CCOC3)C2)o1
InChIInChI=1S/C14H22N2O3/c1-2-12-8-16-13(19-12)9-15-11-3-5-18-14(7-11)4-6-17-10-14/h8,11,15H,2-7,9-10H2,1H3
InChIKeyQGOAQIJQEPZUES-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.66
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 106370958) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID106370958
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1cnc(CNC2CCOC3(CCOC3)C2)o1
InChIInChI=1S/C14H22N2O3/c1-2-12-8-16-13(19-12)9-15-11-3-5-18-14(7-11)4-6-17-10-14/h8,11,15H,2-7,9-10H2,1H3
InChIKeyQGOAQIJQEPZUES-UHFFFAOYSA-N
XLogP1.66
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine 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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903000
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 106370958) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is CCc1cnc(CNC2CCOC3(CCOC3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is QGOAQIJQEPZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-12-8-16-13(19-12)9-15-11-3-5-18-14(7-11)4-6-17-10-14/h8,11,15H,2-7,9-10H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 266.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106370958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).