1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile

C10H10N4O3S — CID 113437982

IUPAC1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C10H10N4O3S/c1-14-5-7(4-11)3-8(14)10-12-9(13-17-10)6-18(2,15)16/h3,5H,6H2,1-2H3
InChIKeyRRZSQGYOGMTNAU-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile

1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile (PubChem CID 113437982) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
PubChem CID113437982
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C10H10N4O3S/c1-14-5-7(4-11)3-8(14)10-12-9(13-17-10)6-18(2,15)16/h3,5H,6H2,1-2H3
InChIKeyRRZSQGYOGMTNAU-UHFFFAOYSA-N
XLogP0.49
TPSA101.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 106526842
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104704137
1-methyl-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 106527540
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-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677263
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 136889617
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-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64529074

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile?
The IUPAC name of 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile (CID 113437982) is 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile.
What is the SMILES notation for 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile?
The canonical SMILES for 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile is Cn1cc(C#N)cc1-c1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile?
The InChIKey is RRZSQGYOGMTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-14-5-7(4-11)3-8(14)10-12-9(13-17-10)6-18(2,15)16/h3,5H,6H2,1-2H3.
What are the key properties of 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile?
1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile has a molecular weight of 266.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile is sourced from PubChem (CID 113437982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).