3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one

C11H12ClN3O2 — CID 123414615

IUPAC3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CC1COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-5,8H,6H2,1-2H3
InChIKeyKQKCHOSOEOFLGJ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.42
Rot. Bonds2

About 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one

3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one (PubChem CID 123414615) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
PubChem CID123414615
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CC1COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-5,8H,6H2,1-2H3
InChIKeyKQKCHOSOEOFLGJ-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one (CID 123414615) is 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one is CC(C)=CC1COC(=O)N1c1ccnc(Cl)n1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The InChIKey is KQKCHOSOEOFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-5,8H,6H2,1-2H3.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one has a molecular weight of 253.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123414615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).