N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide

C26H20N2O2 — CID 2840256

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1
InChIInChI=1S/C26H20N2O2/c1-2-17-10-12-19(13-11-17)26-28-23-16-20(14-15-24(23)30-26)27-25(29)22-9-5-7-18-6-3-4-8-21(18)22/h3-16H,2H2,1H3,(H,27,29)
InChIKeyRNPLSYRLNOWBHE-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.46
Rot. Bonds4

About N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide (PubChem CID 2840256) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
PubChem CID2840256
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1
InChIInChI=1S/C26H20N2O2/c1-2-17-10-12-19(13-11-17)26-28-23-16-20(14-15-24(23)30-26)27-25(29)22-9-5-7-18-6-3-4-8-21(18)22/h3-16H,2H2,1H3,(H,27,29)
InChIKeyRNPLSYRLNOWBHE-UHFFFAOYSA-N
XLogP6.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 4523636
4-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17116883
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1497034
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 135718020
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide (CID 2840256) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide is CCc1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is RNPLSYRLNOWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-2-17-10-12-19(13-11-17)26-28-23-16-20(14-15-24(23)30-26)27-25(29)22-9-5-7-18-6-3-4-8-21(18)22/h3-16H,2H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 2840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).