N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide

C37H33ClN4O4 — CID 25152052

About N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide

N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 25152052) has the molecular formula C37H33ClN4O4 and a molecular weight of 633.15 g/mol. Its IUPAC name is N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
• PubChem CID: 25152052
• Molecular Formula: C37H33ClN4O4
• Molecular Weight: 633.15 g/mol
• Exact Mass: 632.22
• IUPAC Name: N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
• SMILES: Cc1cc(Cl)ccc1-c1ccccc1CN1CC(C)(CNC(=O)c2ccc(-c3nc4cc(C#N)cc(C(C)C)c4o3)cc2)OC1=O
• InChI: InChI=1S/C37H33ClN4O4/c1-22(2)31-16-24(18-39)17-32-33(31)45-35(41-32)26-11-9-25(10-12-26)34(43)40-20-37(4)21-42(36(44)46-37)19-27-7-5-6-8-30(27)29-14-13-28(38)15-23(29)3/h5-17,22H,19-21H2,1-4H3,(H,40,43)
• InChIKey: SMMNTNHNDWBMEU-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 108.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.15
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?

The IUPAC name of N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (CID 25152052) is N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide.

What is the SMILES notation for N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?

The canonical SMILES for N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide is Cc1cc(Cl)ccc1-c1ccccc1CN1CC(C)(CNC(=O)c2ccc(-c3nc4cc(C#N)cc(C(C)C)c4o3)cc2)OC1=O.

What is the InChIKey of N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?

The InChIKey is SMMNTNHNDWBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33ClN4O4/c1-22(2)31-16-24(18-39)17-32-33(31)45-35(41-32)26-11-9-25(10-12-26)34(43)40-20-37(4)21-42(36(44)46-37)19-27-7-5-6-8-30(27)29-14-13-28(38)15-23(29)3/h5-17,22H,19-21H2,1-4H3,(H,40,43).

What are the key properties of N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?

N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 633.15 g/mol, XLogP of 8.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[2-(4-chloro-2-methylphenyl)phenyl]methyl]-5-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 25152052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).