[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C13H13FN4O3 — CID 121017637

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ncc(F)cn3)C2)no1
InChIInChI=1S/C13H13FN4O3/c1-8-4-11(17-21-8)12(19)18-3-2-10(7-18)20-13-15-5-9(14)6-16-13/h4-6,10H,2-3,7H2,1H3
InChIKeyMWNXGFFDSALNOY-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.21
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 121017637) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID121017637
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ncc(F)cn3)C2)no1
InChIInChI=1S/C13H13FN4O3/c1-8-4-11(17-21-8)12(19)18-3-2-10(7-18)20-13-15-5-9(14)6-16-13/h4-6,10H,2-3,7H2,1H3
InChIKeyMWNXGFFDSALNOY-UHFFFAOYSA-N
XLogP1.21
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 121017637) is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Oc3ncc(F)cn3)C2)no1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MWNXGFFDSALNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-8-4-11(17-21-8)12(19)18-3-2-10(7-18)20-13-15-5-9(14)6-16-13/h4-6,10H,2-3,7H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 292.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 121017637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).