(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one

C10H13N3O2 — CID 70899687

IUPAC(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2cncnc2)[C@@H]1C
InChIInChI=1S/C10H13N3O2/c1-3-13-7(2)9(15-10(13)14)8-4-11-6-12-5-8/h4-7,9H,3H2,1-2H3/t7-,9-/m0/s1
InChIKeyXBAXZOSHAVPSAW-CBAPKCEASA-N
MW207.23 g/mol
LogP1.38
Rot. Bonds2

About (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one

(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one (PubChem CID 70899687) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
PubChem CID70899687
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2cncnc2)[C@@H]1C
InChIInChI=1S/C10H13N3O2/c1-3-13-7(2)9(15-10(13)14)8-4-11-6-12-5-8/h4-7,9H,3H2,1-2H3/t7-,9-/m0/s1
InChIKeyXBAXZOSHAVPSAW-CBAPKCEASA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one (CID 70899687) is (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one is CCN1C(=O)O[C@H](c2cncnc2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The InChIKey is XBAXZOSHAVPSAW-CBAPKCEASA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-13-7(2)9(15-10(13)14)8-4-11-6-12-5-8/h4-7,9H,3H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
(4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-ethyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70899687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).