N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide

C28H18N2O2 — CID 3314222

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-27(24-14-6-9-18-7-1-3-12-22(18)24)29-21-11-5-10-20(17-21)28-30-26-23-13-4-2-8-19(23)15-16-25(26)32-28/h1-17H,(H,29,31)
InChIKeyFXKQESBVQZQRHQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.05
Rot. Bonds3

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide (PubChem CID 3314222) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
PubChem CID3314222
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-27(24-14-6-9-18-7-1-3-12-22(18)24)29-21-11-5-10-20(17-21)28-30-26-23-13-4-2-8-19(23)15-16-25(26)32-28/h1-17H,(H,29,31)
InChIKeyFXKQESBVQZQRHQ-UHFFFAOYSA-N
XLogP7.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 5038968
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
CID 39380118
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-chloro-5-nitrobenzamide
CID 39380150
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 39380434
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-bromobenzamide
CID 4566084
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
CID 3587754
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
CID 40618366
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide (CID 3314222) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc2ccccc12.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is FXKQESBVQZQRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c31-27(24-14-6-9-18-7-1-3-12-22(18)24)29-21-11-5-10-20(17-21)28-30-26-23-13-4-2-8-19(23)15-16-25(26)32-28/h1-17H,(H,29,31).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 3314222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).