3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one

C8H10N2O3 — CID 11837340

IUPAC3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one
SMILESCc1noc(N2CCOC2=O)c1C
InChIInChI=1S/C8H10N2O3/c1-5-6(2)9-13-7(5)10-3-4-12-8(10)11/h3-4H2,1-2H3
InChIKeyGECRYLWSFUCROZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.25
Rot. Bonds1

About 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one

3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 11837340) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID11837340
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one
SMILESCc1noc(N2CCOC2=O)c1C
InChIInChI=1S/C8H10N2O3/c1-5-6(2)9-13-7(5)10-3-4-12-8(10)11/h3-4H2,1-2H3
InChIKeyGECRYLWSFUCROZ-UHFFFAOYSA-N
XLogP1.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one (CID 11837340) is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one is Cc1noc(N2CCOC2=O)c1C.
What is the InChIKey of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is GECRYLWSFUCROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-6(2)9-13-7(5)10-3-4-12-8(10)11/h3-4H2,1-2H3.
What are the key properties of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one?
3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11837340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).