3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile

C10H10N4O2 — CID 136771001

IUPAC3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESN#CCC(O)Cc1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H10N4O2/c11-4-3-7(15)6-9-13-10(14-16-9)8-2-1-5-12-8/h1-2,5,7,12,15H,3,6H2
InChIKeyQWGWHTIFVNYQAP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds4

About 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile

3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile (PubChem CID 136771001) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
PubChem CID136771001
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESN#CCC(O)Cc1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H10N4O2/c11-4-3-7(15)6-9-13-10(14-16-9)8-2-1-5-12-8/h1-2,5,7,12,15H,3,6H2
InChIKeyQWGWHTIFVNYQAP-UHFFFAOYSA-N
XLogP0.88
TPSA98.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106523914
1-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 136984384
3-hydroxy-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526548
3-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 136984595
1-cyclopropyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 136984473
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
3-hydroxy-4-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 136770725
3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524813
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 107283094
3-hydroxy-4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524386
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 136984329
N-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 136984338

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The IUPAC name of 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile (CID 136771001) is 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile.
What is the SMILES notation for 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The canonical SMILES for 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile is N#CCC(O)Cc1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The InChIKey is QWGWHTIFVNYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-4-3-7(15)6-9-13-10(14-16-9)8-2-1-5-12-8/h1-2,5,7,12,15H,3,6H2.
What are the key properties of 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile has a molecular weight of 218.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile is sourced from PubChem (CID 136771001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).