[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C18H19N3O3S — CID 46366304

IUPAC[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H19N3O3S/c1-3-14-17(11(2)19-23-14)13-6-4-8-21(13)18(22)12-10-15(24-20-12)16-7-5-9-25-16/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyWSRQIZRQZHWSBR-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.24
Rot. Bonds4

About [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 46366304) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID46366304
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H19N3O3S/c1-3-14-17(11(2)19-23-14)13-6-4-8-21(13)18(22)12-10-15(24-20-12)16-7-5-9-25-16/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyWSRQIZRQZHWSBR-UHFFFAOYSA-N
XLogP4.24
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 46366304) is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is CCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is WSRQIZRQZHWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-14-17(11(2)19-23-14)13-6-4-8-21(13)18(22)12-10-15(24-20-12)16-7-5-9-25-16/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 357.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 46366304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).