1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one

C18H20N2O3S — CID 99697259

IUPAC1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17-4-1-9-20(17)14-5-7-15(8-6-14)23-11-13-12-24-18(19-13)16-3-2-10-22-16/h5-8,12,16H,1-4,9-11H2/t16-/m0/s1
InChIKeyIFXJJOSDCMCZNP-INIZCTEOSA-N
MW344.44 g/mol
LogP3.70
Rot. Bonds5

About 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one

1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one (PubChem CID 99697259) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one
PubChem CID99697259
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17-4-1-9-20(17)14-5-7-15(8-6-14)23-11-13-12-24-18(19-13)16-3-2-10-22-16/h5-8,12,16H,1-4,9-11H2/t16-/m0/s1
InChIKeyIFXJJOSDCMCZNP-INIZCTEOSA-N
XLogP3.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one (CID 99697259) is 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1.
What is the InChIKey of 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is IFXJJOSDCMCZNP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17-4-1-9-20(17)14-5-7-15(8-6-14)23-11-13-12-24-18(19-13)16-3-2-10-22-16/h5-8,12,16H,1-4,9-11H2/t16-/m0/s1.
What are the key properties of 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one?
1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 99697259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).