1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile

C17H24N4O3 — CID 167984827

IUPAC1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
SMILESCOC1(C#N)CC(c2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1
InChIInChI=1S/C17H24N4O3/c1-11(2)8-21-9-12(4-5-14(21)22)15-19-16(24-20-15)13-6-17(7-13,10-18)23-3/h11-13H,4-9H2,1-3H3
InChIKeyIMYFOGWZVSNPPI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.22
Rot. Bonds5

About 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile

1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile (PubChem CID 167984827) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
PubChem CID167984827
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
SMILESCOC1(C#N)CC(c2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1
InChIInChI=1S/C17H24N4O3/c1-11(2)8-21-9-12(4-5-14(21)22)15-19-16(24-20-15)13-6-17(7-13,10-18)23-3/h11-13H,4-9H2,1-3H3
InChIKeyIMYFOGWZVSNPPI-UHFFFAOYSA-N
XLogP2.22
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile 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

5-[5-[(5,5-dimethyl-1,4-dioxan-2-yl)methyl]-1,2,4-oxadiazol-3-yl]-1-(2-methylpropyl)piperidin-2-one
CID 167771242
3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 167897260
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345383
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
CID 72892822
1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 167938312
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 136569617
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
3-cyclopropyl-5-[(2S)-1-ethylsulfonyl-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110203142
2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one
CID 75523993

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile (CID 167984827) is 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile is COC1(C#N)CC(c2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1.
What is the InChIKey of 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The InChIKey is IMYFOGWZVSNPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)8-21-9-12(4-5-14(21)22)15-19-16(24-20-15)13-6-17(7-13,10-18)23-3/h11-13H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile has a molecular weight of 332.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167984827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).