4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one

C12H12N2O3 — CID 168702768

IUPAC4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
SMILESCc1nc2cc(N3CC(O)CC3=O)ccc2o1
InChIInChI=1S/C12H12N2O3/c1-7-13-10-4-8(2-3-11(10)17-7)14-6-9(15)5-12(14)16/h2-4,9,15H,5-6H2,1H3
InChIKeyDZAKKPVLGJIWCV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.23
Rot. Bonds1

About 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one

4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one (PubChem CID 168702768) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
PubChem CID168702768
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
SMILESCc1nc2cc(N3CC(O)CC3=O)ccc2o1
InChIInChI=1S/C12H12N2O3/c1-7-13-10-4-8(2-3-11(10)17-7)14-6-9(15)5-12(14)16/h2-4,9,15H,5-6H2,1H3
InChIKeyDZAKKPVLGJIWCV-UHFFFAOYSA-N
XLogP1.23
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 95098992
1-(2-methyl-1,3-benzoxazol-6-yl)-4-sulfanylpyrrolidin-2-one
CID 168709157
(3S)-N-(3-bromophenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95098994
(3S)-N-[(4-chlorophenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95098864
N-[(3,4-dimethylphenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 53155943
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 53155936
ethyl 3-[[(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 95098876
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
(3S)-1-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 94671729

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one (CID 168702768) is 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one is Cc1nc2cc(N3CC(O)CC3=O)ccc2o1.
What is the InChIKey of 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one?
The InChIKey is DZAKKPVLGJIWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-13-10-4-8(2-3-11(10)17-7)14-6-9(15)5-12(14)16/h2-4,9,15H,5-6H2,1H3.
What are the key properties of 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168702768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).