3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one

C17H22N2O4 — CID 144592023

IUPAC3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OCC1c1ccccc1)C(O)C1CCCN1
InChIInChI=1S/C17H22N2O4/c1-11(15(20)13-8-5-9-18-13)16(21)19-14(10-23-17(19)22)12-6-3-2-4-7-12/h2-4,6-7,11,13-15,18,20H,5,8-10H2,1H3
InChIKeyDNQRLRWIPQOUOU-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.46
Rot. Bonds4

About 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one

3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 144592023) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID144592023
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OCC1c1ccccc1)C(O)C1CCCN1
InChIInChI=1S/C17H22N2O4/c1-11(15(20)13-8-5-9-18-13)16(21)19-14(10-23-17(19)22)12-6-3-2-4-7-12/h2-4,6-7,11,13-15,18,20H,5,8-10H2,1H3
InChIKeyDNQRLRWIPQOUOU-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one;methanol
CID 144592022
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-6-phenylmethoxyhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386100
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
CID 118193058
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one (CID 144592023) is 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one is CC(C(=O)N1C(=O)OCC1c1ccccc1)C(O)C1CCCN1.
What is the InChIKey of 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DNQRLRWIPQOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(15(20)13-8-5-9-18-13)16(21)19-14(10-23-17(19)22)12-6-3-2-4-7-12/h2-4,6-7,11,13-15,18,20H,5,8-10H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one?
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 144592023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).