2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one

C15H18N2O4 — CID 62116186

IUPAC2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CN(CCO)Cc2ccccc2)o1
InChIInChI=1S/C15H18N2O4/c1-12-9-14(19)17(21-12)15(20)11-16(7-8-18)10-13-5-3-2-4-6-13/h2-6,9,18H,7-8,10-11H2,1H3
InChIKeyPLIQUEJSMKBHRG-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one

2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one (PubChem CID 62116186) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
PubChem CID62116186
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CN(CCO)Cc2ccccc2)o1
InChIInChI=1S/C15H18N2O4/c1-12-9-14(19)17(21-12)15(20)11-16(7-8-18)10-13-5-3-2-4-6-13/h2-6,9,18H,7-8,10-11H2,1H3
InChIKeyPLIQUEJSMKBHRG-UHFFFAOYSA-N
XLogP0.88
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]-propylamino]acetate
CID 62028662
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1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
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2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
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2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
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CID 62115298
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
4-[[benzyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274854
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one (CID 62116186) is 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(C(=O)CN(CCO)Cc2ccccc2)o1.
What is the InChIKey of 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The InChIKey is PLIQUEJSMKBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-12-9-14(19)17(21-12)15(20)11-16(7-8-18)10-13-5-3-2-4-6-13/h2-6,9,18H,7-8,10-11H2,1H3.
What are the key properties of 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one has a molecular weight of 290.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 62116186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).