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

C26H20N2O2 — CID 2263618

IUPACN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3C)nc2c1
InChIInChI=1S/C26H20N2O2/c1-16-10-13-24-23(14-16)28-26(30-24)21-8-5-9-22(17(21)2)27-25(29)20-12-11-18-6-3-4-7-19(18)15-20/h3-15H,1-2H3,(H,27,29)
InChIKeyQWPKLPWRNQLJDY-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.52
Rot. Bonds3

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

N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 2263618) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID2263618
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3C)nc2c1
InChIInChI=1S/C26H20N2O2/c1-16-10-13-24-23(14-16)28-26(30-24)21-8-5-9-22(17(21)2)27-25(29)20-12-11-18-6-3-4-7-19(18)15-20/h3-15H,1-2H3,(H,27,29)
InChIKeyQWPKLPWRNQLJDY-UHFFFAOYSA-N
XLogP6.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 2263618) is N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is Cc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3C)nc2c1.
What is the InChIKey of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is QWPKLPWRNQLJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-16-10-13-24-23(14-16)28-26(30-24)21-8-5-9-22(17(21)2)27-25(29)20-12-11-18-6-3-4-7-19(18)15-20/h3-15H,1-2H3,(H,27,29).
What are the key properties of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2263618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).