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

C20H19FN4O3 — CID 121017700

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cc(-c4ccccc4)on3)C2)c1F
InChIInChI=1S/C20H19FN4O3/c1-2-15-18(21)19(23-12-22-15)27-14-8-9-25(11-14)20(26)16-10-17(28-24-16)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3
InChIKeyYMPDTVSCBOLBGN-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.13
Rot. Bonds5

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

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 121017700) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID121017700
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cc(-c4ccccc4)on3)C2)c1F
InChIInChI=1S/C20H19FN4O3/c1-2-15-18(21)19(23-12-22-15)27-14-8-9-25(11-14)20(26)16-10-17(28-24-16)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3
InChIKeyYMPDTVSCBOLBGN-UHFFFAOYSA-N
XLogP3.13
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-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]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 121017700) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is CCc1ncnc(OC2CCN(C(=O)c3cc(-c4ccccc4)on3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YMPDTVSCBOLBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-2-15-18(21)19(23-12-22-15)27-14-8-9-25(11-14)20(26)16-10-17(28-24-16)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 382.40 g/mol, XLogP of 3.13, 5 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]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 121017700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).