N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide

C30H35N5O4 — CID 143915839

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide (PubChem CID 143915839) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide
• PubChem CID: 143915839
• Molecular Formula: C30H35N5O4
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.27
• IUPAC Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide
• SMILES: CCOCc1cc(CNc2cc(OC(C)C)nc(C)n2)ccc1-c1ccccc1C(=O)Nc1noc(C)c1C
• InChI: InChI=1S/C30H35N5O4/c1-7-37-17-23-14-22(16-31-27-15-28(38-18(2)3)33-21(6)32-27)12-13-24(23)25-10-8-9-11-26(25)30(36)34-29-19(4)20(5)39-35-29/h8-15,18H,7,16-17H2,1-6H3,(H,31,32,33)(H,34,35,36)
• InChIKey: AOMVGUDBOOMEBE-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 111.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide?

The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide (CID 143915839) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide.

What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide?

The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide is CCOCc1cc(CNc2cc(OC(C)C)nc(C)n2)ccc1-c1ccccc1C(=O)Nc1noc(C)c1C.

What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide?

The InChIKey is AOMVGUDBOOMEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-7-37-17-23-14-22(16-31-27-15-28(38-18(2)3)33-21(6)32-27)12-13-24(23)25-10-8-9-11-26(25)30(36)34-29-19(4)20(5)39-35-29/h8-15,18H,7,16-17H2,1-6H3,(H,31,32,33)(H,34,35,36).

What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide?

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide has a molecular weight of 529.64 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 143915839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).