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

C9H11N3O2 — CID 19987365

IUPAC3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1cncnc1
InChIInChI=1S/C9H11N3O2/c1-12-8(5-14-9(12)13)2-7-3-10-6-11-4-7/h3-4,6,8H,2,5H2,1H3
InChIKeyYPBPBICZQTXEAC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.47
Rot. Bonds2

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

3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 19987365) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID19987365
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1cncnc1
InChIInChI=1S/C9H11N3O2/c1-12-8(5-14-9(12)13)2-7-3-10-6-11-4-7/h3-4,6,8H,2,5H2,1H3
InChIKeyYPBPBICZQTXEAC-UHFFFAOYSA-N
XLogP0.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one (CID 19987365) is 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one is CN1C(=O)OCC1Cc1cncnc1.
What is the InChIKey of 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YPBPBICZQTXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12-8(5-14-9(12)13)2-7-3-10-6-11-4-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one?
3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 193.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyrimidin-5-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).