4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

C13H12N2O3 — CID 168703880

IUPAC4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc(-c2cnco2)c1
InChIInChI=1S/C13H12N2O3/c16-11-5-13(17)15(7-11)10-3-1-2-9(4-10)12-6-14-8-18-12/h1-4,6,8,11,16H,5,7H2
InChIKeyWOXHRCYQVLSBGB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.44
Rot. Bonds2

About 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 168703880) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
PubChem CID168703880
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc(-c2cnco2)c1
InChIInChI=1S/C13H12N2O3/c16-11-5-13(17)15(7-11)10-3-1-2-9(4-10)12-6-14-8-18-12/h1-4,6,8,11,16H,5,7H2
InChIKeyWOXHRCYQVLSBGB-UHFFFAOYSA-N
XLogP1.44
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692194
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691764
5-[3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-1,3-oxazole
CID 142422543
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697831
4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one
CID 118862331
6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50949708
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
2-[3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetonitrile
CID 168703908
N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 122132406
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
CID 168703375
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (CID 168703880) is 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is O=C1CC(O)CN1c1cccc(-c2cnco2)c1.
What is the InChIKey of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is WOXHRCYQVLSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-5-13(17)15(7-11)10-3-1-2-9(4-10)12-6-14-8-18-12/h1-4,6,8,11,16H,5,7H2.
What are the key properties of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 244.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168703880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).