9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C25H33N3O2 — CID 163317627

IUPAC9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN2Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C25H33N3O2/c29-24-25(13-7-15-27(24)18-20-9-3-1-4-10-20)14-8-16-28(25)19-22-17-23(26-30-22)21-11-5-2-6-12-21/h1,3-4,9-10,17,21H,2,5-8,11-16,18-19H2
InChIKeyUEHBRDATAPLZPT-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.88
Rot. Bonds5

About 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163317627) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163317627
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN2Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C25H33N3O2/c29-24-25(13-7-15-27(24)18-20-9-3-1-4-10-20)14-8-16-28(25)19-22-17-23(26-30-22)21-11-5-2-6-12-21/h1,3-4,9-10,17,21H,2,5-8,11-16,18-19H2
InChIKeyUEHBRDATAPLZPT-UHFFFAOYSA-N
XLogP4.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162638466
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 72926326
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637207

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163317627) is 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccccc2)CCCC12CCCN2Cc1cc(C2CCCCC2)no1.
What is the InChIKey of 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is UEHBRDATAPLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c29-24-25(13-7-15-27(24)18-20-9-3-1-4-10-20)14-8-16-28(25)19-22-17-23(26-30-22)21-11-5-2-6-12-21/h1,3-4,9-10,17,21H,2,5-8,11-16,18-19H2.
What are the key properties of 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 407.56 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163317627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).