(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

C22H19N3O3 — CID 175964542

IUPAC(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc5[nH]ccc45)c3)no2)C1=O
InChIInChI=1S/C22H19N3O3/c1-25-11-9-22(27,21(25)26)20-13-19(24-28-20)15-5-2-4-14(12-15)16-6-3-7-18-17(16)8-10-23-18/h2-8,10,12-13,23,27H,9,11H2,1H3/t22-/m1/s1
InChIKeyVJRTUPNFNQUHCK-JOCHJYFZSA-N
MW373.41 g/mol
LogP3.54
Rot. Bonds3

About (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 175964542) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID175964542
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc5[nH]ccc45)c3)no2)C1=O
InChIInChI=1S/C22H19N3O3/c1-25-11-9-22(27,21(25)26)20-13-19(24-28-20)15-5-2-4-14(12-15)16-6-3-7-18-17(16)8-10-23-18/h2-8,10,12-13,23,27H,9,11H2,1H3/t22-/m1/s1
InChIKeyVJRTUPNFNQUHCK-JOCHJYFZSA-N
XLogP3.54
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-[3-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170413300
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
3-[3-[3-(2-aminoquinazolin-8-yl)phenyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350733
2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
CID 170350937
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350588
1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 170350985
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
CID 170575198
3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175964612
(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326465
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 170350381
N-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 177263014

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 175964542) is (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc5[nH]ccc45)c3)no2)C1=O.
What is the InChIKey of (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is VJRTUPNFNQUHCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-25-11-9-22(27,21(25)26)20-13-19(24-28-20)15-5-2-4-14(12-15)16-6-3-7-18-17(16)8-10-23-18/h2-8,10,12-13,23,27H,9,11H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 373.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 175964542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).