4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one

C9H9NO3 — CID 117277918

IUPAC4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(CCO)cccc2o1
InChIInChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)10-9(12)13-7/h1-3,11H,4-5H2,(H,10,12)
InChIKeyLRNBOZBBVGOOOC-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.66
Rot. Bonds2

About 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one

4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 117277918) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
PubChem CID117277918
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(CCO)cccc2o1
InChIInChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)10-9(12)13-7/h1-3,11H,4-5H2,(H,10,12)
InChIKeyLRNBOZBBVGOOOC-UHFFFAOYSA-N
XLogP0.66
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
molecular hydrogen;4-propyl-3H-1,3-benzoxazol-2-one
CID 145188279
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228
4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 117283463
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117284329
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
hypochlorous acid;4-[4-[(2-oxo-3H-1,3-benzoxazol-4-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 158976268
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 162212278
6-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115216444
5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22270830

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one (CID 117277918) is 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(CCO)cccc2o1.
What is the InChIKey of 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is LRNBOZBBVGOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)10-9(12)13-7/h1-3,11H,4-5H2,(H,10,12).
What are the key properties of 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 179.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).