3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H24N4O2 — CID 56902043

IUPAC3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cncc1CN1CCCC2(C1)CN(C)C(=O)O2
InChIInChI=1S/C15H24N4O2/c1-12(2)19-11-16-7-13(19)8-18-6-4-5-15(10-18)9-17(3)14(20)21-15/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyXRQFMPSMKWPEIW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds3

About 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56902043) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56902043
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cncc1CN1CCCC2(C1)CN(C)C(=O)O2
InChIInChI=1S/C15H24N4O2/c1-12(2)19-11-16-7-13(19)8-18-6-4-5-15(10-18)9-17(3)14(20)21-15/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyXRQFMPSMKWPEIW-UHFFFAOYSA-N
XLogP1.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95869327
tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 97160520
(5S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 125524622
tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 23084025
Tert-butyl 4-[5-(fluoromethyl)-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl]piperidine-1-carboxylate
CID 23084127
tert-butyl 3-amino-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 129972532
Tert-butyl 4-[4-[(dimethylamino)methyl]-2-(3,3,3-trifluoropropyl)imidazol-1-yl]piperidine-1-carboxylate
CID 146631909
Tert-butyl 3-fluoro-4-[methyl-(4-methylimidazole-1-carbonyl)amino]pyrrolidine-1-carboxylate
CID 176331995
7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56910193
3-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72839040
(4S)-3-[(1-isobutyl-1H-imidazol-5-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72868054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56902043) is 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CC(C)n1cncc1CN1CCCC2(C1)CN(C)C(=O)O2.
What is the InChIKey of 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XRQFMPSMKWPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)19-11-16-7-13(19)8-18-6-4-5-15(10-18)9-17(3)14(20)21-15/h7,11-12H,4-6,8-10H2,1-3H3.
What are the key properties of 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[(3-propan-2-ylimidazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).