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

C25H18N2O2 — CID 15987512

IUPACN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2c1
InChIInChI=1S/C25H18N2O2/c1-16-12-13-22-23(14-16)29-25(27-22)18-8-4-9-19(15-18)26-24(28)21-11-5-7-17-6-2-3-10-20(17)21/h2-15H,1H3,(H,26,28)
InChIKeyOWNLFLZHCFYIKD-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.21
Rot. Bonds3

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

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 15987512) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID15987512
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC NameN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2c1
InChIInChI=1S/C25H18N2O2/c1-16-12-13-22-23(14-16)29-25(27-22)18-8-4-9-19(15-18)26-24(28)21-11-5-7-17-6-2-3-10-20(17)21/h2-15H,1H3,(H,26,28)
InChIKeyOWNLFLZHCFYIKD-UHFFFAOYSA-N
XLogP6.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 15987512) is N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1ccc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2c1.
What is the InChIKey of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is OWNLFLZHCFYIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-16-12-13-22-23(14-16)29-25(27-22)18-8-4-9-19(15-18)26-24(28)21-11-5-7-17-6-2-3-10-20(17)21/h2-15H,1H3,(H,26,28).
What are the key properties of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 15987512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).