3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H22N4O3 — CID 72839040

IUPAC3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCn1cncc1CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C14H22N4O3/c1-20-7-6-17-11-16-8-12(17)9-18-10-14(21-13(18)19)2-4-15-5-3-14/h8,11,15H,2-7,9-10H2,1H3
InChIKeyWLIMSOKOKQMFQZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.60
Rot. Bonds5

About 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72839040) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72839040
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCn1cncc1CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C14H22N4O3/c1-20-7-6-17-11-16-8-12(17)9-18-10-14(21-13(18)19)2-4-15-5-3-14/h8,11,15H,2-7,9-10H2,1H3
InChIKeyWLIMSOKOKQMFQZ-UHFFFAOYSA-N
XLogP0.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]-N-methylpyrrolidine-1-carboxamide
CID 124046121
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidin-1-ylacetamide
CID 91777901
2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95215943
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95869327
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}acetamide
CID 118775161
(5S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 125524622
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
ethyl 4-{[(1-isobutyl-1H-imidazol-5-yl)methyl]amino}piperidine-1-carboxylate
CID 50970995
7-[(1-isopropyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56902043
7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56910193
(4S)-3-[(1-isobutyl-1H-imidazol-5-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72868054
9-[(1-isopropyl-1H-imidazol-5-yl)methyl]-2-[2-oxo-2-(1-piperidinyl)ethyl]-6-oxa-2,9-diazaspiro[4.5]decane
CID 145939322

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72839040) is 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCn1cncc1CN1CC2(CCNCC2)OC1=O.
What is the InChIKey of 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WLIMSOKOKQMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-20-7-6-17-11-16-8-12(17)9-18-10-14(21-13(18)19)2-4-15-5-3-14/h8,11,15H,2-7,9-10H2,1H3.
What are the key properties of 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 294.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72839040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).