2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile

C14H9N3OS — CID 104656670

IUPAC2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESCc1cccc(-c2noc(-c3sccc3C#N)n2)c1
InChIInChI=1S/C14H9N3OS/c1-9-3-2-4-10(7-9)13-16-14(18-17-13)12-11(8-15)5-6-19-12/h2-7H,1H3
InChIKeyNXXZMMNBYVJRLG-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.65
Rot. Bonds2

About 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile

2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (PubChem CID 104656670) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
PubChem CID104656670
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESCc1cccc(-c2noc(-c3sccc3C#N)n2)c1
InChIInChI=1S/C14H9N3OS/c1-9-3-2-4-10(7-9)13-16-14(18-17-13)12-11(8-15)5-6-19-12/h2-7H,1H3
InChIKeyNXXZMMNBYVJRLG-UHFFFAOYSA-N
XLogP3.65
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524025
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524503
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
CID 53163830
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 53163828
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (CID 104656670) is 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is Cc1cccc(-c2noc(-c3sccc3C#N)n2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The InChIKey is NXXZMMNBYVJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-9-3-2-4-10(7-9)13-16-14(18-17-13)12-11(8-15)5-6-19-12/h2-7H,1H3.
What are the key properties of 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 104656670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).