1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone

C8H8N2O2 — CID 137437687

IUPAC1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone
SMILESCC(=O)c1cn(C)c2ncoc12
InChIInChI=1S/C8H8N2O2/c1-5(11)6-3-10(2)8-7(6)12-4-9-8/h3-4H,1-2H3
InChIKeyKQPGKEAVXFVXQC-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.37
Rot. Bonds1

About 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone

1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone (PubChem CID 137437687) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone
PubChem CID137437687
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone
SMILESCC(=O)c1cn(C)c2ncoc12
InChIInChI=1S/C8H8N2O2/c1-5(11)6-3-10(2)8-7(6)12-4-9-8/h3-4H,1-2H3
InChIKeyKQPGKEAVXFVXQC-UHFFFAOYSA-N
XLogP1.37
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone?
The IUPAC name of 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone (CID 137437687) is 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone.
What is the SMILES notation for 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone?
The canonical SMILES for 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone is CC(=O)c1cn(C)c2ncoc12.
What is the InChIKey of 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone?
The InChIKey is KQPGKEAVXFVXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5(11)6-3-10(2)8-7(6)12-4-9-8/h3-4H,1-2H3.
What are the key properties of 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone?
1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone has a molecular weight of 164.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone is sourced from PubChem (CID 137437687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).