1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone

C7H10N2O2 — CID 90440075

IUPAC1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone
SMILESCNc1oc(C)nc1C(C)=O
InChIInChI=1S/C7H10N2O2/c1-4(10)6-7(8-3)11-5(2)9-6/h8H,1-3H3
InChIKeyACXYHQYVWAUXFF-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.23
Rot. Bonds2

About 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone

1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone (PubChem CID 90440075) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone
PubChem CID90440075
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone
SMILESCNc1oc(C)nc1C(C)=O
InChIInChI=1S/C7H10N2O2/c1-4(10)6-7(8-3)11-5(2)9-6/h8H,1-3H3
InChIKeyACXYHQYVWAUXFF-UHFFFAOYSA-N
XLogP1.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone (CID 90440075) is 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone is CNc1oc(C)nc1C(C)=O.
What is the InChIKey of 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone?
The InChIKey is ACXYHQYVWAUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(10)6-7(8-3)11-5(2)9-6/h8H,1-3H3.
What are the key properties of 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone?
1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone has a molecular weight of 154.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 90440075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).