N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide

C19H18N2O3 — CID 108806192

IUPACN-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C19H18N2O3/c1-11-8-12(2)19-16(9-11)17(21-24-19)10-18(23)20-15-6-4-14(5-7-15)13(3)22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyNCCJGFZOUCEWSI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.83
Rot. Bonds4

About N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108806192) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108806192
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C19H18N2O3/c1-11-8-12(2)19-16(9-11)17(21-24-19)10-18(23)20-15-6-4-14(5-7-15)13(3)22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyNCCJGFZOUCEWSI-UHFFFAOYSA-N
XLogP3.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806213
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108744683
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
CID 108806265
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 108794494
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806231
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108806192) is N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is NCCJGFZOUCEWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-12(2)19-16(9-11)17(21-24-19)10-18(23)20-15-6-4-14(5-7-15)13(3)22/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108806192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).