propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate

C13H15NO5 — CID 82357335

IUPACpropan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)oc2cc(CO)ccc21
InChIInChI=1S/C13H15NO5/c1-8(2)18-12(16)6-14-10-4-3-9(7-15)5-11(10)19-13(14)17/h3-5,8,15H,6-7H2,1-2H3
InChIKeyQWUTXCBEUMWCKJ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.04
Rot. Bonds4

About propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate

propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 82357335) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID82357335
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namepropan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)oc2cc(CO)ccc21
InChIInChI=1S/C13H15NO5/c1-8(2)18-12(16)6-14-10-4-3-9(7-15)5-11(10)19-13(14)17/h3-5,8,15H,6-7H2,1-2H3
InChIKeyQWUTXCBEUMWCKJ-UHFFFAOYSA-N
XLogP1.04
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dimethoxyethyl)-6-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357403
3-methylbutyl 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357232
6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 82357321
3-[3-(dimethylamino)propyl]-6-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357408
5-[[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylic acid
CID 82357412
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951798
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951770
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951777
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310879

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 82357335) is propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate is CC(C)OC(=O)Cn1c(=O)oc2cc(CO)ccc21.
What is the InChIKey of propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is QWUTXCBEUMWCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(2)18-12(16)6-14-10-4-3-9(7-15)5-11(10)19-13(14)17/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 265.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 82357335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).