4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole

C17H29N3O — CID 79231699

IUPAC4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CNC2(CCCC2)CN1C(C)c1c(C)noc1C
InChIInChI=1S/C17H29N3O/c1-5-15-10-18-17(8-6-7-9-17)11-20(15)13(3)16-12(2)19-21-14(16)4/h13,15,18H,5-11H2,1-4H3
InChIKeyCMJMWOCHHRSHES-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds3

About 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole

4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79231699) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79231699
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CNC2(CCCC2)CN1C(C)c1c(C)noc1C
InChIInChI=1S/C17H29N3O/c1-5-15-10-18-17(8-6-7-9-17)11-20(15)13(3)16-12(2)19-21-14(16)4/h13,15,18H,5-11H2,1-4H3
InChIKeyCMJMWOCHHRSHES-UHFFFAOYSA-N
XLogP3.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238267
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238128
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64948572
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79939895
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
CID 106224522
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989

Frequently Asked Questions

What is the IUPAC name of 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole (CID 79231699) is 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole is CCC1CNC2(CCCC2)CN1C(C)c1c(C)noc1C.
What is the InChIKey of 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CMJMWOCHHRSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-10-18-17(8-6-7-9-17)11-20(15)13(3)16-12(2)19-21-14(16)4/h13,15,18H,5-11H2,1-4H3.
What are the key properties of 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 291.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79231699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).