2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

C20H16N4O3 — CID 18203984

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C20H16N4O3/c1-24-11-10-21-20(24)19(26)13-6-8-14(9-7-13)22-18(25)12-16-15-4-2-3-5-17(15)27-23-16/h2-11H,12H2,1H3,(H,22,25)
InChIKeyXPHAYDDTINNJIP-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.97
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (PubChem CID 18203984) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
PubChem CID18203984
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C20H16N4O3/c1-24-11-10-21-20(24)19(26)13-6-8-14(9-7-13)22-18(25)12-16-15-4-2-3-5-17(15)27-23-16/h2-11H,12H2,1H3,(H,22,25)
InChIKeyXPHAYDDTINNJIP-UHFFFAOYSA-N
XLogP2.97
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide 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

Aminobenzisoxazole 28
CID 10140911
3-(1,2-benzoxazol-3-yl)-4-[3-(1-propylimidazol-4-yl)-3H-inden-1-yl]pyrrole-2,5-dione
CID 162677487
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
4-(1,2-benzoxazol-3-yl)-3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]aniline
CID 44157210
3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 90667417
2-(1,2-benzisoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 1235390
2-(3-amino-1,2-benzoxazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683608
US10745401, Example 191
CID 146343481
US10745401, Example 133
CID 146344670
N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51361477
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 90667418

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (CID 18203984) is 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The InChIKey is XPHAYDDTINNJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-24-11-10-21-20(24)19(26)13-6-8-14(9-7-13)22-18(25)12-16-15-4-2-3-5-17(15)27-23-16/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 18203984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).