3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

C22H18N2O2 — CID 2833240

IUPAC3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1
InChIInChI=1S/C22H18N2O2/c1-14-6-8-16(9-7-14)22-24-19-13-18(10-11-20(19)26-22)23-21(25)17-5-3-4-15(2)12-17/h3-13H,1-2H3,(H,23,25)
InChIKeyUBQZQMSOJJHAPS-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

About 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 2833240) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID2833240
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1
InChIInChI=1S/C22H18N2O2/c1-14-6-8-16(9-7-14)22-24-19-13-18(10-11-20(19)26-22)23-21(25)17-5-3-4-15(2)12-17/h3-13H,1-2H3,(H,23,25)
InChIKeyUBQZQMSOJJHAPS-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

3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 3095595
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
CID 1365709
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
3-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5120026
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 2833240) is 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is Cc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is UBQZQMSOJJHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-6-8-16(9-7-14)22-24-19-13-18(10-11-20(19)26-22)23-21(25)17-5-3-4-15(2)12-17/h3-13H,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]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 3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 2833240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).