5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C13H15FN6O2 — CID 86817442

IUPAC5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCc1ncnc(N2CCCC2c2nc(C(N)=O)no2)c1F
InChIInChI=1S/C13H15FN6O2/c1-2-7-9(14)12(17-6-16-7)20-5-3-4-8(20)13-18-11(10(15)21)19-22-13/h6,8H,2-5H2,1H3,(H2,15,21)
InChIKeyXRCBPNGSPYRPON-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.00
Rot. Bonds4

About 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 86817442) has the molecular formula C13H15FN6O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID86817442
Molecular FormulaC13H15FN6O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCc1ncnc(N2CCCC2c2nc(C(N)=O)no2)c1F
InChIInChI=1S/C13H15FN6O2/c1-2-7-9(14)12(17-6-16-7)20-5-3-4-8(20)13-18-11(10(15)21)19-22-13/h6,8H,2-5H2,1H3,(H2,15,21)
InChIKeyXRCBPNGSPYRPON-UHFFFAOYSA-N
XLogP1.00
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 86817442) is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is CCc1ncnc(N2CCCC2c2nc(C(N)=O)no2)c1F.
What is the InChIKey of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XRCBPNGSPYRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O2/c1-2-7-9(14)12(17-6-16-7)20-5-3-4-8(20)13-18-11(10(15)21)19-22-13/h6,8H,2-5H2,1H3,(H2,15,21).
What are the key properties of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 86817442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).