4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one

C9H10N2O4 — CID 19881962

IUPAC4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C9H10N2O4/c1-4-8(12)14-6(10-4)3-7-11-5(2)9(13)15-7/h4-5H,3H2,1-2H3
InChIKeyJHAWCQQLNBHSIB-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.06
Rot. Bonds2

About 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one

4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one (PubChem CID 19881962) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
PubChem CID19881962
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C9H10N2O4/c1-4-8(12)14-6(10-4)3-7-11-5(2)9(13)15-7/h4-5H,3H2,1-2H3
InChIKeyJHAWCQQLNBHSIB-UHFFFAOYSA-N
XLogP0.06
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one (CID 19881962) is 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one is CC1N=C(CC2=NC(C)C(=O)O2)OC1=O.
What is the InChIKey of 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The InChIKey is JHAWCQQLNBHSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4-8(12)14-6(10-4)3-7-11-5(2)9(13)15-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one has a molecular weight of 210.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).