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

C17H17N3O2 — CID 110771869

IUPAC2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3ncoc3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-6-4-13(5-7-14)19-17(21)10-12-3-8-15-16(9-12)22-11-18-15/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyWQPLPZPXISNKFY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.08
Rot. Bonds4

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

2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110771869) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110771869
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3ncoc3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-6-4-13(5-7-14)19-17(21)10-12-3-8-15-16(9-12)22-11-18-15/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyWQPLPZPXISNKFY-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110771867
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
CID 139348119
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110771854
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110771892
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide (CID 110771869) is 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cc2ccc3ncoc3c2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is WQPLPZPXISNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)14-6-4-13(5-7-14)19-17(21)10-12-3-8-15-16(9-12)22-11-18-15/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide?
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110771869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).