[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C15H17FN4O3 — CID 129355733

IUPAC[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)c3cnoc3C)C2)c1F
InChIInChI=1S/C15H17FN4O3/c1-3-12-13(16)14(18-8-17-12)22-10-4-5-20(7-10)15(21)11-6-19-23-9(11)2/h6,8,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyPDTPTIOBFCBAEP-SNVBAGLBSA-N
MW320.32 g/mol
LogP1.77
Rot. Bonds4

About [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 129355733) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID129355733
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)c3cnoc3C)C2)c1F
InChIInChI=1S/C15H17FN4O3/c1-3-12-13(16)14(18-8-17-12)22-10-4-5-20(7-10)15(21)11-6-19-23-9(11)2/h6,8,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyPDTPTIOBFCBAEP-SNVBAGLBSA-N
XLogP1.77
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 129355733) is [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnoc3C)C2)c1F.
What is the InChIKey of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is PDTPTIOBFCBAEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-3-12-13(16)14(18-8-17-12)22-10-4-5-20(7-10)15(21)11-6-19-23-9(11)2/h6,8,10H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 320.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 129355733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).