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

C14H15FN4O3 — CID 119100412

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H15FN4O3/c1-8-12(9(2)22-18-8)13(20)19-4-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,11H,3-4,7H2,1-2H3
InChIKeyARGGKGNCWSPOGX-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.51
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 119100412) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID119100412
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H15FN4O3/c1-8-12(9(2)22-18-8)13(20)19-4-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,11H,3-4,7H2,1-2H3
InChIKeyARGGKGNCWSPOGX-UHFFFAOYSA-N
XLogP1.51
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (CID 119100412) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is ARGGKGNCWSPOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-8-12(9(2)22-18-8)13(20)19-4-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 306.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 119100412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).