2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C17H16N2O4 — CID 110662027

IUPAC2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H16N2O4/c1-19-14-10-12(6-7-15(14)23-17(19)21)18-16(20)9-11-4-3-5-13(8-11)22-2/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyKPCJAIBXAZTVSN-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.32
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110662027) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID110662027
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H16N2O4/c1-19-14-10-12(6-7-15(14)23-17(19)21)18-16(20)9-11-4-3-5-13(8-11)22-2/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyKPCJAIBXAZTVSN-UHFFFAOYSA-N
XLogP2.32
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774208
2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662032
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110608029

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 110662027) is 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is COc1cccc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is KPCJAIBXAZTVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19-14-10-12(6-7-15(14)23-17(19)21)18-16(20)9-11-4-3-5-13(8-11)22-2/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110662027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).