3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide

C28H29N3O4 — CID 55532647

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide (PubChem CID 55532647) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide
• PubChem CID: 55532647
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide
• SMILES: Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
• InChI: InChI=1S/C28H29N3O4/c1-17-24(18(2)35-31-17)16-34-25-14-20-10-7-6-9-19(20)13-23(25)26(32)29-21-11-8-12-22(15-21)30-27(33)28(3,4)5/h6-15H,16H2,1-5H3,(H,29,32)(H,30,33)
• InChIKey: MGVGMSUPIHJOQZ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide?

The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide (CID 55532647) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide?

The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.

What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide?

The InChIKey is MGVGMSUPIHJOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-17-24(18(2)35-31-17)16-34-25-14-20-10-7-6-9-19(20)13-23(25)26(32)29-21-11-8-12-22(15-21)30-27(33)28(3,4)5/h6-15H,16H2,1-5H3,(H,29,32)(H,30,33).

What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide?

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55532647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).