2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C19H20N2O3 — CID 108794494

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)NCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H20N2O3/c1-12-9-13(2)19-16(10-12)17(21-24-19)11-18(23)20-8-7-14-3-5-15(22)6-4-14/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyRDBQDLFKEVKOAE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds5

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 108794494) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID108794494
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)NCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H20N2O3/c1-12-9-13(2)19-16(10-12)17(21-24-19)11-18(23)20-8-7-14-3-5-15(22)6-4-14/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyRDBQDLFKEVKOAE-UHFFFAOYSA-N
XLogP3.05
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273
methyl 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 108806159
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 143940575
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737269
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108731731
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806213

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 108794494) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide is Cc1cc(C)c2onc(CC(=O)NCCc3ccc(O)cc3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is RDBQDLFKEVKOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-9-13(2)19-16(10-12)17(21-24-19)11-18(23)20-8-7-14-3-5-15(22)6-4-14/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 108794494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).