N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide

C25H18N2O3 — CID 1047424

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1
InChIInChI=1S/C25H18N2O3/c1-29-20-12-9-17(10-13-20)24(28)26-19-7-4-6-18(15-19)25-27-23-21-8-3-2-5-16(21)11-14-22(23)30-25/h2-15H,1H3,(H,26,28)
InChIKeyDBAFHEJNLZSQBR-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.91
Rot. Bonds4

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide (PubChem CID 1047424) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
PubChem CID1047424
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1
InChIInChI=1S/C25H18N2O3/c1-29-20-12-9-17(10-13-20)24(28)26-19-7-4-6-18(15-19)25-27-23-21-8-3-2-5-16(21)11-14-22(23)30-25/h2-15H,1H3,(H,26,28)
InChIKeyDBAFHEJNLZSQBR-UHFFFAOYSA-N
XLogP5.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 39380434
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-butoxybenzamide
CID 4590665
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
CID 39380118
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-(3-methylphenoxy)acetamide
CID 40618366

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide (CID 1047424) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide?
The InChIKey is DBAFHEJNLZSQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-20-12-9-17(10-13-20)24(28)26-19-7-4-6-18(15-19)25-27-23-21-8-3-2-5-16(21)11-14-22(23)30-25/h2-15H,1H3,(H,26,28).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 1047424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).