[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C18H19N3O3S — CID 47002097

IUPAC[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cc(-c3cccs3)on2)on1
InChIInChI=1S/C18H19N3O3S/c1-11(2)12-9-15(23-19-12)14-5-3-7-21(14)18(22)13-10-16(24-20-13)17-6-4-8-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3
InChIKeyIJJSWFLRSDBXDE-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.49
Rot. Bonds4

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

[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 47002097) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID47002097
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cc(-c3cccs3)on2)on1
InChIInChI=1S/C18H19N3O3S/c1-11(2)12-9-15(23-19-12)14-5-3-7-21(14)18(22)13-10-16(24-20-13)17-6-4-8-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3
InChIKeyIJJSWFLRSDBXDE-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 47002097) is [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C2CCCN2C(=O)c2cc(-c3cccs3)on2)on1.
What is the InChIKey of [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is IJJSWFLRSDBXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)12-9-15(23-19-12)14-5-3-7-21(14)18(22)13-10-16(24-20-13)17-6-4-8-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3.
What are the key properties of [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[2-(3-propan-2-yl-1,2-oxazol-5-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 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 47002097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).