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

C8H10N2O3 — CID 19987379

IUPAC3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1cocn1
InChIInChI=1S/C8H10N2O3/c1-10-7(4-13-8(10)11)2-6-3-12-5-9-6/h3,5,7H,2,4H2,1H3
InChIKeyRYPPJHOWZIFZCL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.67
Rot. Bonds2

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

3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 19987379) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID19987379
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1cocn1
InChIInChI=1S/C8H10N2O3/c1-10-7(4-13-8(10)11)2-6-3-12-5-9-6/h3,5,7H,2,4H2,1H3
InChIKeyRYPPJHOWZIFZCL-UHFFFAOYSA-N
XLogP0.67
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one (CID 19987379) is 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one is CN1C(=O)OCC1Cc1cocn1.
What is the InChIKey of 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RYPPJHOWZIFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-7(4-13-8(10)11)2-6-3-12-5-9-6/h3,5,7H,2,4H2,1H3.
What are the key properties of 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one?
3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,3-oxazol-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).