6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one

C84H107N11O12 — CID 167564020

IUPAC6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21
InChIInChI=1S/C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H16N2O2/c1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16/h4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-4,9,14H,5-8H2,1H3/t;2*9-,11?;;;/m.10.../s1
InChIKeyFAOWWRTUTSREJW-IDQFYQNOSA-N
MW1462.84 g/mol
LogP13.12
Rot. Bonds6

About 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one

6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one (PubChem CID 167564020) has the molecular formula C84H107N11O12 and a molecular weight of 1462.84 g/mol. Its IUPAC name is 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one
PubChem CID167564020
Molecular FormulaC84H107N11O12
Molecular Weight1462.84 g/mol
Exact Mass1461.81
IUPAC Name6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21
InChIInChI=1S/C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H16N2O2/c1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16/h4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-4,9,14H,5-8H2,1H3/t;2*9-,11?;;;/m.10.../s1
InChIKeyFAOWWRTUTSREJW-IDQFYQNOSA-N
XLogP13.12
TPSA270.99 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.84
LogP ≤ 513.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one 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

tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethyl-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 156178217
tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 156178754
6-[4-[methyl(3-phenylpropyl)amino]cyclohexyl]-3H-1,3-benzoxazol-2-one;6-[4-(3-phenylpropylamino)cyclohexyl]-3H-1,3-benzoxazol-2-one
CID 157257146
bis(4-tert-butyl-3H-1,3-benzoxazol-2-one);6-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-3-methyl-1,3-benzoxazol-2-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one
CID 157583841
6-[4-[methyl-(2-methyl-3-phenylpropyl)amino]cyclohexyl]-3H-1,3-benzoxazol-2-one;6-[4-[(2-methyl-3-phenylpropyl)amino]cyclohexyl]-3H-1,3-benzoxazol-2-one
CID 160187367
1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone;1-tert-butyl-2,3,4,5-tetrahydro-1-benzazepine
CID 160469825
1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 161131794
6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 161446825
4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-5-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-7-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;7-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 161667609
5-fluoro-1'-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine];5-fluoro-1'-(oxan-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine];(4-fluorophenyl) 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 161768073
ethane;6-methylidene-3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)piperidin-2-one;bis(6-methylidene-3-(2-oxo-4-phenyl-3-propan-2-ylimidazolidin-1-yl)piperidin-2-one);3-(6-methylidene-2-oxopiperidin-3-yl)-1,3-benzoxazol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-3H-indol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-5-phenyl-1,3-oxazolidin-2-one;6-methylidene-3-(2-oxo-3-propan-2-ylimidazol-1-yl)piperidin-2-one;tetrakis(2-methylpropane)
CID 165067283
6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one
CID 167535939

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one (CID 167564020) is 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one is CC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21.
What is the InChIKey of 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one?
The InChIKey is FAOWWRTUTSREJW-IDQFYQNOSA-N. The full InChI is InChI=1S/C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H16N2O2/c1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16/h4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-4,9,14H,5-8H2,1H3/t;2*9-,11?;;;/m.10.../s1.
What are the key properties of 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one?
6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one has a molecular weight of 1462.84 g/mol, XLogP of 13.12, 6 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 167564020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).