N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H18N2O2 — CID 869599

IUPACN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2cc1C
InChIInChI=1S/C22H18N2O2/c1-14-11-19-20(12-15(14)2)26-22(24-19)17-9-6-10-18(13-17)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25)
InChIKeyYNVHHPFPAOTDLW-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

About N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 869599) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID869599
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2cc1C
InChIInChI=1S/C22H18N2O2/c1-14-11-19-20(12-15(14)2)26-22(24-19)17-9-6-10-18(13-17)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25)
InChIKeyYNVHHPFPAOTDLW-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

Analyze N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
CID 3117254
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
3,5-dibromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17318757
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 869599) is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2cc1C.
What is the InChIKey of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is YNVHHPFPAOTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-11-19-20(12-15(14)2)26-22(24-19)17-9-6-10-18(13-17)23-21(25)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
N-[3-(5,6-dimethyl-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-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 869599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).