N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H20N2O3 — CID 4142440

IUPACN-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-4-20(15-10-9-13(2)14(3)11-15)18(22)12-21-16-7-5-6-8-17(16)24-19(21)23/h5-11H,4,12H2,1-3H3
InChIKeyBXYOJOHESPXUGD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.26
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4142440) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4142440
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-4-20(15-10-9-13(2)14(3)11-15)18(22)12-21-16-7-5-6-8-17(16)24-19(21)23/h5-11H,4,12H2,1-3H3
InChIKeyBXYOJOHESPXUGD-UHFFFAOYSA-N
XLogP3.26
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70682775
N-(4-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70684858
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4142440) is N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is BXYOJOHESPXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-20(15-10-9-13(2)14(3)11-15)18(22)12-21-16-7-5-6-8-17(16)24-19(21)23/h5-11H,4,12H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4142440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).