2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide

C21H23FN6O2 — CID 157231304

IUPAC2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCc1nc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)no1
InChIInChI=1S/C21H23FN6O2/c1-13-26-20(27-30-13)17-3-2-10-28(17)21-19(22)16(24-12-25-21)9-8-14-4-6-15(7-5-14)11-18(23)29/h4-7,12,17H,2-3,8-11H2,1H3,(H2,23,29)
InChIKeyAUDFBTUUQAVBBD-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 157231304) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID157231304
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCc1nc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)no1
InChIInChI=1S/C21H23FN6O2/c1-13-26-20(27-30-13)17-3-2-10-28(17)21-19(22)16(24-12-25-21)9-8-14-4-6-15(7-5-14)11-18(23)29/h4-7,12,17H,2-3,8-11H2,1H3,(H2,23,29)
InChIKeyAUDFBTUUQAVBBD-UHFFFAOYSA-N
XLogP2.46
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide 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 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 157231304) is 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide is Cc1nc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)no1.
What is the InChIKey of 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is AUDFBTUUQAVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-26-20(27-30-13)17-3-2-10-28(17)21-19(22)16(24-12-25-21)9-8-14-4-6-15(7-5-14)11-18(23)29/h4-7,12,17H,2-3,8-11H2,1H3,(H2,23,29).
What are the key properties of 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-fluoro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 157231304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).