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

C20H33N3O4 — CID 154919996

IUPAC4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
SMILESCN1CCN(Cc2cc(C3CCCCC3)no2)CC12CCOCC2.O=CO
InChIInChI=1S/C19H31N3O2.CH2O2/c1-21-9-10-22(15-19(21)7-11-23-12-8-19)14-17-13-18(20-24-17)16-5-3-2-4-6-16;2-1-3/h13,16H,2-12,14-15H2,1H3;1H,(H,2,3)
InChIKeyAVYFZHRHGBKAKH-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.72
Rot. Bonds3

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

4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid (PubChem CID 154919996) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
PubChem CID154919996
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
SMILESCN1CCN(Cc2cc(C3CCCCC3)no2)CC12CCOCC2.O=CO
InChIInChI=1S/C19H31N3O2.CH2O2/c1-21-9-10-22(15-19(21)7-11-23-12-8-19)14-17-13-18(20-24-17)16-5-3-2-4-6-16;2-1-3/h13,16H,2-12,14-15H2,1H3;1H,(H,2,3)
InChIKeyAVYFZHRHGBKAKH-UHFFFAOYSA-N
XLogP2.72
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;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

(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
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
4-[2-[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56893078
[(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
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 72926326
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97142214
1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138810125
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753139
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
[(4aS,6R)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 154567630
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
CID 127249268

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid?
The IUPAC name of 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid (CID 154919996) is 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid.
What is the SMILES notation for 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid?
The canonical SMILES for 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid is CN1CCN(Cc2cc(C3CCCCC3)no2)CC12CCOCC2.O=CO.
What is the InChIKey of 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid?
The InChIKey is AVYFZHRHGBKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.CH2O2/c1-21-9-10-22(15-19(21)7-11-23-12-8-19)14-17-13-18(20-24-17)16-5-3-2-4-6-16;2-1-3/h13,16H,2-12,14-15H2,1H3;1H,(H,2,3).
What are the key properties of 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid?
4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid has a molecular weight of 379.50 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid is sourced from PubChem (CID 154919996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).