(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C11H14ClN3O2 — CID 89489980

IUPAC(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyCKDBPJOAMRKELQ-QMMMGPOBSA-N
MW255.70 g/mol
LogP2.50
Rot. Bonds3

About (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 89489980) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID89489980
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1c1ccnc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyCKDBPJOAMRKELQ-QMMMGPOBSA-N
XLogP2.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 89489980) is (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)C[C@H]1COC(=O)N1c1ccnc(Cl)n1.
What is the InChIKey of (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is CKDBPJOAMRKELQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(2)5-8-6-17-11(16)15(8)9-3-4-13-10(12)14-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).