2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide

C17H16N2O4 — CID 110771854

IUPAC2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ncoc3c2)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-4-6-14(15(9-12)22-2)19-17(20)8-11-3-5-13-16(7-11)23-10-18-13/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyUZGYESIATJRTRS-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide

2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 110771854) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID110771854
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ncoc3c2)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-4-6-14(15(9-12)22-2)19-17(20)8-11-3-5-13-16(7-11)23-10-18-13/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyUZGYESIATJRTRS-UHFFFAOYSA-N
XLogP3.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110771892
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
N-(2,4-dimethoxyphenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680145
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide (CID 110771854) is 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc3ncoc3c2)c(OC)c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is UZGYESIATJRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-12-4-6-14(15(9-12)22-2)19-17(20)8-11-3-5-13-16(7-11)23-10-18-13/h3-7,9-10H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide?
2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 110771854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).