1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone

C6H8N2O2 — CID 105428109

IUPAC1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1c(N)noc1C
InChIInChI=1S/C6H8N2O2/c1-3(9)5-4(2)10-8-6(5)7/h1-2H3,(H2,7,8)
InChIKeyRBXUNUGERSGWDF-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.77
Rot. Bonds1

About 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone

1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone (PubChem CID 105428109) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone
PubChem CID105428109
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1c(N)noc1C
InChIInChI=1S/C6H8N2O2/c1-3(9)5-4(2)10-8-6(5)7/h1-2H3,(H2,7,8)
InChIKeyRBXUNUGERSGWDF-UHFFFAOYSA-N
XLogP0.77
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone (CID 105428109) is 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone is CC(=O)c1c(N)noc1C.
What is the InChIKey of 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is RBXUNUGERSGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3(9)5-4(2)10-8-6(5)7/h1-2H3,(H2,7,8).
What are the key properties of 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone?
1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 140.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 105428109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).