N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H18N2O2 — CID 712724

IUPACN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3C)nc2c1
InChIInChI=1S/C22H18N2O2/c1-14-11-12-20-19(13-14)24-22(26-20)17-9-6-10-18(15(17)2)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25)
InChIKeyBTKHRUWJPIWACR-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

About N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 712724) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID712724
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3C)nc2c1
InChIInChI=1S/C22H18N2O2/c1-14-11-12-20-19(13-14)24-22(26-20)17-9-6-10-18(15(17)2)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25)
InChIKeyBTKHRUWJPIWACR-UHFFFAOYSA-N
XLogP5.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 1497023
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 1018550
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide
CID 3364996
3-(furan-2-yl)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 1109872
2-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]propanedinitrile
CID 168544011
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 1367030
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
CID 2210002

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 712724) is N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3C)nc2c1.
What is the InChIKey of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is BTKHRUWJPIWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-11-12-20-19(13-14)24-22(26-20)17-9-6-10-18(15(17)2)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 712724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).