3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C10H11ClFN3O2 — CID 89479130

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN3O2/c1-5(2)7-4-17-10(16)15(7)8-6(12)3-13-9(11)14-8/h3,5,7H,4H2,1-2H3
InChIKeyLZNDEKNYMVUMHS-UHFFFAOYSA-N
MW259.67 g/mol
LogP2.25
Rot. Bonds2

About 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89479130) has the molecular formula C10H11ClFN3O2 and a molecular weight of 259.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89479130
Molecular FormulaC10H11ClFN3O2
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN3O2/c1-5(2)7-4-17-10(16)15(7)8-6(12)3-13-9(11)14-8/h3,5,7H,4H2,1-2H3
InChIKeyLZNDEKNYMVUMHS-UHFFFAOYSA-N
XLogP2.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)-1,3-oxazolidin-2-one
CID 72906073
(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343064
(R)-tert-Butyl 3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidine-1-carboxylate
CID 66519798
(S)-3-(2-fluoropyrimidin-4-yl)-4-isopropyloxazolidin-2-one
CID 86730137
3-(2-Fluoropyrimidin-4-yl)oxazolidin-2-one
CID 86730261
3-(2-Chloro-5-fluoropyrimidin-4-yl)oxazolidin-2-one
CID 86730264
(S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-4-isopropyloxazolidin-2-one
CID 86730286
butyl N-chloro-N-(5-fluoropyrimidin-4-yl)carbamate
CID 87417505
3-(2-Chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 89478990
(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine
CID 89479060
3-(2-Fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479426
1-(2-Chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 89489686

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89479130) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1nc(Cl)ncc1F.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LZNDEKNYMVUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O2/c1-5(2)7-4-17-10(16)15(7)8-6(12)3-13-9(11)14-8/h3,5,7H,4H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 259.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).