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

C10H12FN3O2 — CID 86730137

IUPAC(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=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/t7-/m1/s1
InChIKeyKESKTKDGWWKBBO-SSDOTTSWSA-N
MW225.22 g/mol
LogP1.60
Rot. Bonds2

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

(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 86730137) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID86730137
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=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/t7-/m1/s1
InChIKeyKESKTKDGWWKBBO-SSDOTTSWSA-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 (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 86730137) is (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(F)n1.
What is the InChIKey of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KESKTKDGWWKBBO-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-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 (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86730137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).