1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone

C10H11N3O2 — CID 79107226

IUPAC1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1noc(C)n1
InChIInChI=1S/C10H11N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)15-12-10/h3-5H,6H2,1-2H3
InChIKeyGJAWHWAJGVVYCG-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.43
Rot. Bonds3

About 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone

1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone (PubChem CID 79107226) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
PubChem CID79107226
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1noc(C)n1
InChIInChI=1S/C10H11N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)15-12-10/h3-5H,6H2,1-2H3
InChIKeyGJAWHWAJGVVYCG-UHFFFAOYSA-N
XLogP1.43
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138261
N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138219
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 106405219
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
(4-ethylpiperazin-1-yl)-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]methanone
CID 53138332
1-[1-[[2-(chloromethyl)phenyl]methyl]pyrrol-2-yl]ethanone
CID 14612751
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 115624837
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-2-yl]ethanone
CID 106865793
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
2-(2-acetylpyrrol-1-yl)acetonitrile
CID 79106170

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone (CID 79107226) is 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone is CC(=O)c1cccn1Cc1noc(C)n1.
What is the InChIKey of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The InChIKey is GJAWHWAJGVVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)15-12-10/h3-5H,6H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone?
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone has a molecular weight of 205.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone is sourced from PubChem (CID 79107226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).