8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

C22H33N3O2 — CID 72908060

IUPAC8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cc(C4CCCCC4)no3)C2)CN1C1CC1
InChIInChI=1S/C22H33N3O2/c26-21-9-11-22(16-25(21)18-7-8-18)10-4-12-24(15-22)14-19-13-20(23-27-19)17-5-2-1-3-6-17/h13,17-18H,1-12,14-16H2
InChIKeyWJLWCRYOFQYPBW-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.09
Rot. Bonds4

About 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72908060) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72908060
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cc(C4CCCCC4)no3)C2)CN1C1CC1
InChIInChI=1S/C22H33N3O2/c26-21-9-11-22(16-25(21)18-7-8-18)10-4-12-24(15-22)14-19-13-20(23-27-19)17-5-2-1-3-6-17/h13,17-18H,1-12,14-16H2
InChIKeyWJLWCRYOFQYPBW-UHFFFAOYSA-N
XLogP4.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70766870
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97154265
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128
4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
CID 154919996
2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72877434
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295
2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162638466

Frequently Asked Questions

What is the IUPAC name of 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (CID 72908060) is 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3cc(C4CCCCC4)no3)C2)CN1C1CC1.
What is the InChIKey of 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WJLWCRYOFQYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21-9-11-22(16-25(21)18-7-8-18)10-4-12-24(15-22)14-19-13-20(23-27-19)17-5-2-1-3-6-17/h13,17-18H,1-12,14-16H2.
What are the key properties of 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72908060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).