N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

C25H18N2O2 — CID 1365396

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)oc2c1
InChIInChI=1S/C25H18N2O2/c1-16-6-13-22-23(14-16)29-25(27-22)18-9-11-21(12-10-18)26-24(28)20-8-7-17-4-2-3-5-19(17)15-20/h2-15H,1H3,(H,26,28)
InChIKeyTUJJOHOKFNHKLJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.21
Rot. Bonds3

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 1365396) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID1365396
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)oc2c1
InChIInChI=1S/C25H18N2O2/c1-16-6-13-22-23(14-16)29-25(27-22)18-9-11-21(12-10-18)26-24(28)20-8-7-17-4-2-3-5-19(17)15-20/h2-15H,1H3,(H,26,28)
InChIKeyTUJJOHOKFNHKLJ-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-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 1365396) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is TUJJOHOKFNHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-16-6-13-22-23(14-16)29-25(27-22)18-9-11-21(12-10-18)26-24(28)20-8-7-17-4-2-3-5-19(17)15-20/h2-15H,1H3,(H,26,28).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-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-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 1365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).