3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C10H12FN3O2 — CID 89479426

IUPAC3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C10H12FN3O2/c1-6(2)7-5-16-10(15)14(7)8-3-4-12-9(11)13-8/h3-4,6-7H,5H2,1-2H3
InChIKeyKESKTKDGWWKBBO-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.60
Rot. Bonds2

About 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89479426) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89479426
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C10H12FN3O2/c1-6(2)7-5-16-10(15)14(7)8-3-4-12-9(11)13-8/h3-4,6-7H,5H2,1-2H3
InChIKeyKESKTKDGWWKBBO-UHFFFAOYSA-N
XLogP1.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89479426) is 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(F)n1.
What is the InChIKey of 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KESKTKDGWWKBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6(2)7-5-16-10(15)14(7)8-3-4-12-9(11)13-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 225.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89479426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).