5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile

C10H10N4O2 — CID 106526842

IUPAC5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(CCO)no1
InChIInChI=1S/C10H10N4O2/c1-14-6-7(5-11)4-8(14)10-12-9(2-3-15)13-16-10/h4,6,15H,2-3H2,1H3
InChIKeyDTFDBVNIYDVOKQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.48
Rot. Bonds3

About 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile

5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (PubChem CID 106526842) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
PubChem CID106526842
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(CCO)no1
InChIInChI=1S/C10H10N4O2/c1-14-6-7(5-11)4-8(14)10-12-9(2-3-15)13-16-10/h4,6,15H,2-3H2,1H3
InChIKeyDTFDBVNIYDVOKQ-UHFFFAOYSA-N
XLogP0.48
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104704137
1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 113437982
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
1-methyl-5-[3-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 97222256
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrole-3-carbonitrile
CID 103739765
ethyl 5-(4-cyano-1-methylpyrrol-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 106526585
5-(4-cyano-1-methylpyrrol-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527900
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 136889617
1-methyl-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 106527540
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
CID 103739760
5-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677156
5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677263

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (CID 106526842) is 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is Cn1cc(C#N)cc1-c1nc(CCO)no1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The InChIKey is DTFDBVNIYDVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-6-7(5-11)4-8(14)10-12-9(2-3-15)13-16-10/h4,6,15H,2-3H2,1H3.
What are the key properties of 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 106526842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).