N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide

C22H19N3O2 — CID 44581249

IUPACN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide
SMILESCN(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1
InChIInChI=1S/C22H19N3O2/c1-25(2)18-11-8-16(9-12-18)22-24-19-13-10-17(14-20(19)27-22)23-21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,26)
InChIKeyDJMZZWJZEQCJRR-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.81
Rot. Bonds4

About N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide

N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide (PubChem CID 44581249) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide
PubChem CID44581249
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide
SMILESCN(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1
InChIInChI=1S/C22H19N3O2/c1-25(2)18-11-8-16(9-12-18)22-24-19-13-10-17(14-20(19)27-22)23-21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,26)
InChIKeyDJMZZWJZEQCJRR-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide (CID 44581249) is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide is CN(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide?
The InChIKey is DJMZZWJZEQCJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-25(2)18-11-8-16(9-12-18)22-24-19-13-10-17(14-20(19)27-22)23-21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide?
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]benzamide is sourced from PubChem (CID 44581249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).