3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide

C119H157N9O9S — CID 158757107

IUPAC3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(C2(CCN3CC=CC3=O)CCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCC2)cc1.Cc1ccc(C2(CCn3cc[nH]c3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccccc3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCC2)cc1
InChIInChI=1S/C18H27NO.C18H21NO.C17H24N2O.C17H25NO2S.C17H21NO.C16H20N2O.C16H19NO2/c1-15-3-5-16(6-4-15)18(9-2-10-18)11-14-19-12-7-17(20)8-13-19;1-15-6-8-16(9-7-15)18(10-4-11-18)12-14-19-13-3-2-5-17(19)20;1-14-3-5-15(6-4-14)17(7-2-8-17)9-11-19-12-10-18-16(20)13-19;1-15-3-5-16(6-4-15)17(7-2-8-17)9-10-18-11-13-21(19,20)14-12-18;1-14-5-7-15(8-6-14)17(9-3-10-17)11-13-18-12-2-4-16(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-11-18-12-10-17-15(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-10-17-11-12-19-15(17)18/h3-6,17,20H,2,7-14H2,1H3;2-3,5-9,13H,4,10-12,14H2,1H3;3-6H,2,7-13H2,1H3,(H,18,20);3-6H,2,7-14H2,1H3;2,4-8H,3,9-13H2,1H3;3-6,10,12H,2,7-9,11H2,1H3,(H,17,19);3-6,11-12H,2,7-10H2,1H3
InChIKeyIOFAOYUPRBJXID-UHFFFAOYSA-N
MW1889.69 g/mol
LogP21.17
Rot. Bonds28

About 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 158757107) has the molecular formula C119H157N9O9S and a molecular weight of 1889.69 g/mol. Its IUPAC name is 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID158757107
Molecular FormulaC119H157N9O9S
Molecular Weight1889.69 g/mol
Exact Mass1888.18
IUPAC Name3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(C2(CCN3CC=CC3=O)CCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCC2)cc1.Cc1ccc(C2(CCn3cc[nH]c3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccccc3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCC2)cc1
InChIInChI=1S/C18H27NO.C18H21NO.C17H24N2O.C17H25NO2S.C17H21NO.C16H20N2O.C16H19NO2/c1-15-3-5-16(6-4-15)18(9-2-10-18)11-14-19-12-7-17(20)8-13-19;1-15-6-8-16(9-7-15)18(10-4-11-18)12-14-19-13-3-2-5-17(19)20;1-14-3-5-15(6-4-14)17(7-2-8-17)9-11-19-12-10-18-16(20)13-19;1-15-3-5-16(6-4-15)17(7-2-8-17)9-10-18-11-13-21(19,20)14-12-18;1-14-5-7-15(8-6-14)17(9-3-10-17)11-13-18-12-2-4-16(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-11-18-12-10-17-15(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-10-17-11-12-19-15(17)18/h3-6,17,20H,2,7-14H2,1H3;2-3,5-9,13H,4,10-12,14H2,1H3;3-6H,2,7-13H2,1H3,(H,18,20);3-6H,2,7-14H2,1H3;2,4-8H,3,9-13H2,1H3;3-6,10,12H,2,7-9,11H2,1H3,(H,17,19);3-6,11-12H,2,7-10H2,1H3
InChIKeyIOFAOYUPRBJXID-UHFFFAOYSA-N
XLogP21.17
TPSA208.43 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.69
LogP ≤ 521.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide (CID 158757107) is 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(C2(CCN3CC=CC3=O)CCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCC2)cc1.Cc1ccc(C2(CCn3cc[nH]c3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccccc3=O)CCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCC2)cc1.
What is the InChIKey of 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is IOFAOYUPRBJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.C18H21NO.C17H24N2O.C17H25NO2S.C17H21NO.C16H20N2O.C16H19NO2/c1-15-3-5-16(6-4-15)18(9-2-10-18)11-14-19-12-7-17(20)8-13-19;1-15-6-8-16(9-7-15)18(10-4-11-18)12-14-19-13-3-2-5-17(19)20;1-14-3-5-15(6-4-14)17(7-2-8-17)9-11-19-12-10-18-16(20)13-19;1-15-3-5-16(6-4-15)17(7-2-8-17)9-10-18-11-13-21(19,20)14-12-18;1-14-5-7-15(8-6-14)17(9-3-10-17)11-13-18-12-2-4-16(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-11-18-12-10-17-15(18)19;1-13-3-5-14(6-4-13)16(7-2-8-16)9-10-17-11-12-19-15(17)18/h3-6,17,20H,2,7-14H2,1H3;2-3,5-9,13H,4,10-12,14H2,1H3;3-6H,2,7-13H2,1H3,(H,18,20);3-6H,2,7-14H2,1H3;2,4-8H,3,9-13H2,1H3;3-6,10,12H,2,7-9,11H2,1H3,(H,17,19);3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 1889.69 g/mol, XLogP of 21.17, 28 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1H-imidazol-2-one;3-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyridin-2-one;1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).