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

C34H26N6O4 — CID 25153077

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

N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 25153077) has the molecular formula C34H26N6O4 and a molecular weight of 582.62 g/mol. Its IUPAC name is N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-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-[5-(2-cyanophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
• PubChem CID: 25153077
• Molecular Formula: C34H26N6O4
• Molecular Weight: 582.62 g/mol
• Exact Mass: 582.20
• IUPAC Name: N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
• SMILES: CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CN(c5ccc(-c6ccccc6C#N)cn5)C(=O)O4)cc3)oc12
• InChI: InChI=1S/C34H26N6O4/c1-20(2)28-13-21(15-35)14-29-31(28)44-33(39-29)23-9-7-22(8-10-23)32(41)38-18-26-19-40(34(42)43-26)30-12-11-25(17-37-30)27-6-4-3-5-24(27)16-36/h3-14,17,20,26H,18-19H2,1-2H3,(H,38,41)
• InChIKey: KGGYPAOXOBGMEO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 145.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.62
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-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-[5-(2-cyanophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (CID 25153077) is N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-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-[5-(2-cyanophenyl)-2-pyridinyl]-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-[5-(2-cyanophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide is CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CN(c5ccc(-c6ccccc6C#N)cn5)C(=O)O4)cc3)oc12.

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

The InChIKey is KGGYPAOXOBGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N6O4/c1-20(2)28-13-21(15-35)14-29-31(28)44-33(39-29)23-9-7-22(8-10-23)32(41)38-18-26-19-40(34(42)43-26)30-12-11-25(17-37-30)27-6-4-3-5-24(27)16-36/h3-14,17,20,26H,18-19H2,1-2H3,(H,38,41).

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

N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-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 582.62 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-(2-cyanophenyl)-2-pyridinyl]-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 25153077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).