N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide

C23H20N2O2 — CID 17101713

IUPACN-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
SMILESCc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1
InChIInChI=1S/C23H20N2O2/c1-14-10-15(2)12-17(11-14)23-25-20-13-18(8-9-21(20)27-23)24-22(26)19-7-5-4-6-16(19)3/h4-13H,1-3H3,(H,24,26)
InChIKeyFGEMFCROMDDOPX-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.67
Rot. Bonds3

About N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide

N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide (PubChem CID 17101713) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
PubChem CID17101713
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
SMILESCc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1
InChIInChI=1S/C23H20N2O2/c1-14-10-15(2)12-17(11-14)23-25-20-13-18(8-9-21(20)27-23)24-22(26)19-7-5-4-6-16(19)3/h4-13H,1-3H3,(H,24,26)
InChIKeyFGEMFCROMDDOPX-UHFFFAOYSA-N
XLogP5.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5229080
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
CID 2279203
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide (CID 17101713) is N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide is Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The InChIKey is FGEMFCROMDDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-14-10-15(2)12-17(11-14)23-25-20-13-18(8-9-21(20)27-23)24-22(26)19-7-5-4-6-16(19)3/h4-13H,1-3H3,(H,24,26).
What are the key properties of N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 17101713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).