2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C17H16N2O5 — CID 37094344

IUPAC2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O5/c1-10-3-5-14(15(7-10)22-2)23-9-16(20)18-11-4-6-13-12(8-11)19-17(21)24-13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYXLFLDNSJIWJMM-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.46
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 37094344) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID37094344
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O5/c1-10-3-5-14(15(7-10)22-2)23-9-16(20)18-11-4-6-13-12(8-11)19-17(21)24-13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYXLFLDNSJIWJMM-UHFFFAOYSA-N
XLogP2.46
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094323
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227
2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
CID 119709902
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 55453591
2-(2-methoxy-4-methylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 2095965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 37094344) is 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is COc1cc(C)ccc1OCC(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is YXLFLDNSJIWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-10-3-5-14(15(7-10)22-2)23-9-16(20)18-11-4-6-13-12(8-11)19-17(21)24-13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 328.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 37094344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).