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

C25H18N2O3 — CID 5113548

IUPACN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccc4ccccc4c3o2)c1
InChIInChI=1S/C25H18N2O3/c1-29-18-9-6-8-17(15-18)24(28)26-21-12-5-4-11-20(21)25-27-22-14-13-16-7-2-3-10-19(16)23(22)30-25/h2-15H,1H3,(H,26,28)
InChIKeyZMWRSPKNVDBDHT-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.91
Rot. Bonds4

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

N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide (PubChem CID 5113548) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
PubChem CID5113548
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccc4ccccc4c3o2)c1
InChIInChI=1S/C25H18N2O3/c1-29-18-9-6-8-17(15-18)24(28)26-21-12-5-4-11-20(21)25-27-22-14-13-16-7-2-3-10-19(16)23(22)30-25/h2-15H,1H3,(H,26,28)
InChIKeyZMWRSPKNVDBDHT-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-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
[4-[(2-benzo[g][1,3]benzoxazol-2-ylphenyl)carbamoyl]phenyl] acetate
CID 4158404
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4132611
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 3581588
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide (CID 5113548) is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2-c2nc3ccc4ccccc4c3o2)c1.
What is the InChIKey of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide?
The InChIKey is ZMWRSPKNVDBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-18-9-6-8-17(15-18)24(28)26-21-12-5-4-11-20(21)25-27-22-14-13-16-7-2-3-10-19(16)23(22)30-25/h2-15H,1H3,(H,26,28).
What are the key properties of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide?
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-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-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 5113548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).