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

C14H15FN4O3 — CID 119100433

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccno3)C2)c1F
InChIInChI=1S/C14H15FN4O3/c1-2-10-12(15)13(17-8-16-10)21-9-4-6-19(7-9)14(20)11-3-5-18-22-11/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeySVDPUYGMPQXVGB-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.46
Rot. Bonds4

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

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 119100433) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID119100433
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccno3)C2)c1F
InChIInChI=1S/C14H15FN4O3/c1-2-10-12(15)13(17-8-16-10)21-9-4-6-19(7-9)14(20)11-3-5-18-22-11/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeySVDPUYGMPQXVGB-UHFFFAOYSA-N
XLogP1.46
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone 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 [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 119100433) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is CCc1ncnc(OC2CCN(C(=O)c3ccno3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is SVDPUYGMPQXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-2-10-12(15)13(17-8-16-10)21-9-4-6-19(7-9)14(20)11-3-5-18-22-11/h3,5,8-9H,2,4,6-7H2,1H3.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 306.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 119100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).