1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

C20H19N3O4S — CID 42508366

IUPAC1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(24)14-4-6-15(7-5-14)26-12-16-11-17(22-27-16)20(25)23-9-2-3-18(23)19-21-8-10-28-19/h4-8,10-11,18H,2-3,9,12H2,1H3/t18-/m0/s1
InChIKeyCQEARUAOMYRLNQ-SFHVURJKSA-N
MW397.46 g/mol
LogP3.89
Rot. Bonds6

About 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 42508366) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
PubChem CID42508366
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(24)14-4-6-15(7-5-14)26-12-16-11-17(22-27-16)20(25)23-9-2-3-18(23)19-21-8-10-28-19/h4-8,10-11,18H,2-3,9,12H2,1H3/t18-/m0/s1
InChIKeyCQEARUAOMYRLNQ-SFHVURJKSA-N
XLogP3.89
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95210956
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 9467316
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25383954
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25289044
1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 110750444
4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 122131298
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (CID 42508366) is 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)cc1.
What is the InChIKey of 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is CQEARUAOMYRLNQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(24)14-4-6-15(7-5-14)26-12-16-11-17(22-27-16)20(25)23-9-2-3-18(23)19-21-8-10-28-19/h4-8,10-11,18H,2-3,9,12H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 397.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 42508366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).