5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C12H14FN5O2 — CID 171334198

IUPAC5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(F)(c3nc(C)no3)C2)n1
InChIInChI=1S/C12H14FN5O2/c1-8-15-10(20-17-8)12(13)4-6-18(7-12)11-14-5-3-9(16-11)19-2/h3,5H,4,6-7H2,1-2H3
InChIKeyWKNXCWGUQDDTRB-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.25
Rot. Bonds3

About 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 171334198) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID171334198
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC Name5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(F)(c3nc(C)no3)C2)n1
InChIInChI=1S/C12H14FN5O2/c1-8-15-10(20-17-8)12(13)4-6-18(7-12)11-14-5-3-9(16-11)19-2/h3,5H,4,6-7H2,1-2H3
InChIKeyWKNXCWGUQDDTRB-UHFFFAOYSA-N
XLogP1.25
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 171334198) is 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is COc1ccnc(N2CCC(F)(c3nc(C)no3)C2)n1.
What is the InChIKey of 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WKNXCWGUQDDTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-8-15-10(20-17-8)12(13)4-6-18(7-12)11-14-5-3-9(16-11)19-2/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 279.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 171334198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).