2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide

C19H20N2O4 — CID 50797086

IUPAC2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1
InChIInChI=1S/C19H20N2O4/c1-12(2)21-16-9-6-14(10-17(16)25-19(21)23)20-18(22)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeySICYYZJRYAEDRF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide

2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 50797086) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
PubChem CID50797086
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1
InChIInChI=1S/C19H20N2O4/c1-12(2)21-16-9-6-14(10-17(16)25-19(21)23)20-18(22)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeySICYYZJRYAEDRF-UHFFFAOYSA-N
XLogP3.50
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
CID 50820635
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797372
1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50796699
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide (CID 50797086) is 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is SICYYZJRYAEDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)21-16-9-6-14(10-17(16)25-19(21)23)20-18(22)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide?
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 50797086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).