4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

C27H30N4O4 — CID 55858054

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (PubChem CID 55858054) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• PubChem CID: 55858054
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• SMILES: COc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C27H30N4O4/c1-17(2)26-28-11-12-31(26)15-20-7-6-8-22(13-20)29-27(32)21-9-10-24(25(14-21)33-5)34-16-23-18(3)30-35-19(23)4/h6-14,17H,15-16H2,1-5H3,(H,29,32)
• InChIKey: DOKGSNKUVTUCKV-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (CID 55858054) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

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

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1OCc1c(C)noc1C.

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

The InChIKey is DOKGSNKUVTUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17(2)26-28-11-12-31(26)15-20-7-6-8-22(13-20)29-27(32)21-9-10-24(25(14-21)33-5)34-16-23-18(3)30-35-19(23)4/h6-14,17H,15-16H2,1-5H3,(H,29,32).

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55858054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).