3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one

C10H13N3O2 — CID 19987337

IUPAC3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1cncnc1
InChIInChI=1S/C10H13N3O2/c1-2-13-9(6-15-10(13)14)3-8-4-11-7-12-5-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyJVPKGVGYRCMTTN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds3

About 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one

3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 19987337) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID19987337
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1cncnc1
InChIInChI=1S/C10H13N3O2/c1-2-13-9(6-15-10(13)14)3-8-4-11-7-12-5-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyJVPKGVGYRCMTTN-UHFFFAOYSA-N
XLogP0.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one (CID 19987337) is 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one is CCN1C(=O)OCC1Cc1cncnc1.
What is the InChIKey of 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JVPKGVGYRCMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-13-9(6-15-10(13)14)3-8-4-11-7-12-5-8/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).