1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol

C9H11N3O2 — CID 79106442

IUPAC1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2ncon2)c1
InChIInChI=1S/C9H11N3O2/c1-7(13)8-2-3-12(4-8)5-9-10-6-14-11-9/h2-4,6-7,13H,5H2,1H3
InChIKeyBJZAHLSLVODJSK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol

1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol (PubChem CID 79106442) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol
PubChem CID79106442
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2ncon2)c1
InChIInChI=1S/C9H11N3O2/c1-7(13)8-2-3-12(4-8)5-9-10-6-14-11-9/h2-4,6-7,13H,5H2,1H3
InChIKeyBJZAHLSLVODJSK-UHFFFAOYSA-N
XLogP0.97
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol (CID 79106442) is 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol is CC(O)c1ccn(Cc2ncon2)c1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol?
The InChIKey is BJZAHLSLVODJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(13)8-2-3-12(4-8)5-9-10-6-14-11-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol?
1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol has a molecular weight of 193.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 79106442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).