4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide

C19H20N2O3 — CID 50820635

IUPAC4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-13-5-7-14(8-6-13)18(22)20-15-9-10-16-17(11-15)24-19(23)21(16)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyOBOLSPBJZBCHDM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.99
Rot. Bonds4

About 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide

4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide (PubChem CID 50820635) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
PubChem CID50820635
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-13-5-7-14(8-6-13)18(22)20-15-9-10-16-17(11-15)24-19(23)21(16)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyOBOLSPBJZBCHDM-UHFFFAOYSA-N
XLogP3.99
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50796699
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 50797086
1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797372
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
1-(1-butanoylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812176
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
1-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-(5-propan-2-ylsulfonylpentyl)urea
CID 160739803
N-(4-ethylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051598

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide (CID 50820635) is 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide is CCc1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1.
What is the InChIKey of 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is OBOLSPBJZBCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-13-5-7-14(8-6-13)18(22)20-15-9-10-16-17(11-15)24-19(23)21(16)12(2)3/h5-12H,4H2,1-3H3,(H,20,22).
What are the key properties of 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide?
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 50820635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).