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

C26H20N2O2 — CID 15991130

IUPACN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1cc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2cc1C
InChIInChI=1S/C26H20N2O2/c1-16-13-23-24(14-17(16)2)30-26(28-23)19-9-5-10-20(15-19)27-25(29)22-12-6-8-18-7-3-4-11-21(18)22/h3-15H,1-2H3,(H,27,29)
InChIKeyWVTPWTXHFFKHIR-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.52
Rot. Bonds3

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

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 15991130) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID15991130
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1cc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2cc1C
InChIInChI=1S/C26H20N2O2/c1-16-13-23-24(14-17(16)2)30-26(28-23)19-9-5-10-20(15-19)27-25(29)22-12-6-8-18-7-3-4-11-21(18)22/h3-15H,1-2H3,(H,27,29)
InChIKeyWVTPWTXHFFKHIR-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-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 15991130) is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1cc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2cc1C.
What is the InChIKey of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is WVTPWTXHFFKHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-16-13-23-24(14-17(16)2)30-26(28-23)19-9-5-10-20(15-19)27-25(29)22-12-6-8-18-7-3-4-11-21(18)22/h3-15H,1-2H3,(H,27,29).
What are the key properties of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-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-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 15991130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).