7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C15H24N4O2 — CID 70717988

IUPAC7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCCc1ncc(CN2CCC3(C2)CN(C)C(=O)O3)[nH]1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-13-16-8-12(17-13)9-19-7-6-15(11-19)10-18(2)14(20)21-15/h8H,3-7,9-11H2,1-2H3,(H,16,17)
InChIKeyJFKWTDPGOHMNKL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.78
Rot. Bonds5

About 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 70717988) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID70717988
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCCc1ncc(CN2CCC3(C2)CN(C)C(=O)O3)[nH]1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-13-16-8-12(17-13)9-19-7-6-15(11-19)10-18(2)14(20)21-15/h8H,3-7,9-11H2,1-2H3,(H,16,17)
InChIKeyJFKWTDPGOHMNKL-UHFFFAOYSA-N
XLogP1.78
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56876288
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
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
tert-butyl (2S)-4-fluoro-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 68066919
Tert-butyl (s)-2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 70648864
tert-butyl 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 77889009
tert-Butyl 3-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 102970435
tert-butyl 3-methyl-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 102970441
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
tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 23138462

Frequently Asked Questions

What is the IUPAC name of 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 70717988) is 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CCCCc1ncc(CN2CCC3(C2)CN(C)C(=O)O3)[nH]1.
What is the InChIKey of 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is JFKWTDPGOHMNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-5-13-16-8-12(17-13)9-19-7-6-15(11-19)10-18(2)14(20)21-15/h8H,3-7,9-11H2,1-2H3,(H,16,17).
What are the key properties of 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 70717988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).