(4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

C69H61BrN12O9 — CID 158061206

About (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 158061206) has the molecular formula C69H61BrN12O9 and a molecular weight of 1282.23 g/mol. Its IUPAC name is (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 158061206
• Molecular Formula: C69H61BrN12O9
• Molecular Weight: 1282.23 g/mol
• Exact Mass: 1280.39
• IUPAC Name: (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4ccncc43)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4cnccc43)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1.O=c1[nH]c2ccncc2[nH]1
• InChI: InChI=1S/2C23H20N4O3.C17H16BrNO2.C6H5N3O/c1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28;1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-14-24-13-12-18(19)25-21(26)28;1-17(2)15(12-6-4-3-5-7-12)19(16(20)21-17)14-10-8-13(18)9-11-14;10-6-8-4-1-2-7-3-5(4)9-6/h2*3-14,20H,1-2H3,(H,25,28);3-11,15H,1-2H3;1-3H,(H2,8,9,10)/t2*20-;15-;/m000./s1
• InChIKey: FKQZHUFTXWUDHY-ROGYZIFSSA-N
• XLogP: 13.56
• TPSA: 251.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.23
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (CID 158061206) is (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4ccncc43)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4cnccc43)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1.O=c1[nH]c2ccncc2[nH]1.

What is the InChIKey of (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is FKQZHUFTXWUDHY-ROGYZIFSSA-N. The full InChI is InChI=1S/2C23H20N4O3.C17H16BrNO2.C6H5N3O/c1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28;1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-14-24-13-12-18(19)25-21(26)28;1-17(2)15(12-6-4-3-5-7-12)19(16(20)21-17)14-10-8-13(18)9-11-14;10-6-8-4-1-2-7-3-5(4)9-6/h2*3-14,20H,1-2H3,(H,25,28);3-11,15H,1-2H3;1-3H,(H2,8,9,10)/t2*20-;15-;/m000./s1.

What are the key properties of (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 1282.23 g/mol, XLogP of 13.56, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-(4-bromophenyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158061206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).