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

C10H10N2O2 — CID 82281258

IUPAC1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccn(C)c1
InChIInChI=1S/C10H10N2O2/c1-7(13)9-5-11-14-10(9)8-3-4-12(2)6-8/h3-6H,1-2H3
InChIKeyHLADZWLALKISIA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.88
Rot. Bonds2

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

1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone (PubChem CID 82281258) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
PubChem CID82281258
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccn(C)c1
InChIInChI=1S/C10H10N2O2/c1-7(13)9-5-11-14-10(9)8-3-4-12(2)6-8/h3-6H,1-2H3
InChIKeyHLADZWLALKISIA-UHFFFAOYSA-N
XLogP1.88
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone (CID 82281258) is 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1ccn(C)c1.
What is the InChIKey of 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is HLADZWLALKISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)9-5-11-14-10(9)8-3-4-12(2)6-8/h3-6H,1-2H3.
What are the key properties of 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone?
1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 190.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 82281258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).