3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one

C10H11NO3 — CID 82357274

IUPAC3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(CO)cc21
InChIInChI=1S/C10H11NO3/c1-2-11-8-5-7(6-12)3-4-9(8)14-10(11)13/h3-5,12H,2,6H2,1H3
InChIKeyDAHNTLNNZMTQST-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.11
Rot. Bonds2

About 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one

3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one (PubChem CID 82357274) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
PubChem CID82357274
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(CO)cc21
InChIInChI=1S/C10H11NO3/c1-2-11-8-5-7(6-12)3-4-9(8)14-10(11)13/h3-5,12H,2,6H2,1H3
InChIKeyDAHNTLNNZMTQST-UHFFFAOYSA-N
XLogP1.11
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
CID 117297325
3-methylbutyl 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357232
5-ethyl-3-(2-hydroxy-2-methylpropyl)-1,3-benzoxazol-2-one
CID 134527821
2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
CID 82357308
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 28916712
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
1-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117406858
3-(2,2-dimethoxyethyl)-6-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357403
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
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one (CID 82357274) is 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one is CCn1c(=O)oc2ccc(CO)cc21.
What is the InChIKey of 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one?
The InChIKey is DAHNTLNNZMTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-11-8-5-7(6-12)3-4-9(8)14-10(11)13/h3-5,12H,2,6H2,1H3.
What are the key properties of 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one?
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82357274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).