5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one

C11H10N2O4 — CID 168703375

IUPAC5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
SMILESO=C1CC(O)CN1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O4/c14-7-4-10(15)13(5-7)6-1-2-9-8(3-6)12-11(16)17-9/h1-3,7,14H,4-5H2,(H,12,16)
InChIKeyQXOAYAUEVHKQJF-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.22
Rot. Bonds1

About 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one

5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 168703375) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
PubChem CID168703375
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
SMILESO=C1CC(O)CN1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O4/c14-7-4-10(15)13(5-7)6-1-2-9-8(3-6)12-11(16)17-9/h1-3,7,14H,4-5H2,(H,12,16)
InChIKeyQXOAYAUEVHKQJF-UHFFFAOYSA-N
XLogP0.22
TPSA86.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168718761
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
CID 56695595
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
CID 82379948
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
CID 110608206
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 168703880

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one (CID 168703375) is 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one is O=C1CC(O)CN1c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is QXOAYAUEVHKQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-7-4-10(15)13(5-7)6-1-2-9-8(3-6)12-11(16)17-9/h1-3,7,14H,4-5H2,(H,12,16).
What are the key properties of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one?
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 234.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 168703375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).