9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid

C21H33N3O5 — CID 172909889

IUPAC9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid
SMILESCN1CC(O)CC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)C1=O.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-22-13-16(24)12-20(19(22)25)7-9-23(10-8-20)14-17-11-18(21-26-17)15-5-3-2-4-6-15;2-1-3/h11,15-16,24H,2-10,12-14H2,1H3;1H,(H,2,3)
InChIKeyYMLQBFSMRNEKAE-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.23
Rot. Bonds3

About 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid

9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid (PubChem CID 172909889) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid.

Molecular Properties

Compound Name9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid
PubChem CID172909889
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid
SMILESCN1CC(O)CC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)C1=O.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-22-13-16(24)12-20(19(22)25)7-9-23(10-8-20)14-17-11-18(21-26-17)15-5-3-2-4-6-15;2-1-3/h11,15-16,24H,2-10,12-14H2,1H3;1H,(H,2,3)
InChIKeyYMLQBFSMRNEKAE-UHFFFAOYSA-N
XLogP2.23
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
CID 154919996
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
CID 127027540
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753139
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 72926326
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
(3aR,5R,6R,7aS)-2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172673912
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005

Frequently Asked Questions

What is the IUPAC name of 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid?
The IUPAC name of 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid (CID 172909889) is 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid.
What is the SMILES notation for 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid?
The canonical SMILES for 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid is CN1CC(O)CC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)C1=O.O=CO.
What is the InChIKey of 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid?
The InChIKey is YMLQBFSMRNEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.CH2O2/c1-22-13-16(24)12-20(19(22)25)7-9-23(10-8-20)14-17-11-18(21-26-17)15-5-3-2-4-6-15;2-1-3/h11,15-16,24H,2-10,12-14H2,1H3;1H,(H,2,3).
What are the key properties of 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid?
9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid has a molecular weight of 407.51 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid is sourced from PubChem (CID 172909889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).