3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H19FN4O4 — CID 129355953

IUPAC3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CN3CCOC3=O)C2)c1F
InChIInChI=1S/C15H19FN4O4/c1-2-11-13(16)14(18-9-17-11)24-10-3-4-19(7-10)12(21)8-20-5-6-23-15(20)22/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyRSZJZIYMTVAPJF-JTQLQIEISA-N
MW338.34 g/mol
LogP0.61
Rot. Bonds5

About 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 129355953) has the molecular formula C15H19FN4O4 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID129355953
Molecular FormulaC15H19FN4O4
Molecular Weight338.34 g/mol
Exact Mass338.14
IUPAC Name3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CN3CCOC3=O)C2)c1F
InChIInChI=1S/C15H19FN4O4/c1-2-11-13(16)14(18-9-17-11)24-10-3-4-19(7-10)12(21)8-20-5-6-23-15(20)22/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyRSZJZIYMTVAPJF-JTQLQIEISA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 129355953) is 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CCc1ncnc(O[C@H]2CCN(C(=O)CN3CCOC3=O)C2)c1F.
What is the InChIKey of 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is RSZJZIYMTVAPJF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN4O4/c1-2-11-13(16)14(18-9-17-11)24-10-3-4-19(7-10)12(21)8-20-5-6-23-15(20)22/h9-10H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 338.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129355953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).