5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

C26H19ClN2O2 — CID 3916247

About 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 3916247) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
• PubChem CID: 3916247
• Molecular Formula: C26H19ClN2O2
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.11
• IUPAC Name: 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1
• InChI: InChI=1S/C26H19ClN2O2/c1-15-9-12-22-24(13-15)31-26(29-22)17-11-10-16(2)23(14-17)28-25(30)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,1-2H3,(H,28,30)
• InChIKey: QHGMWTXYEUUCGX-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The IUPAC name of 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 3916247) is 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1.

What is the InChIKey of 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The InChIKey is QHGMWTXYEUUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c1-15-9-12-22-24(13-15)31-26(29-22)17-11-10-16(2)23(14-17)28-25(30)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,1-2H3,(H,28,30).

What are the key properties of 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).