5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C12H7N5O2S — CID 106527814

IUPAC5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCOc1cc(-c2noc(-c3ccc(C#N)s3)n2)ncn1
InChIInChI=1S/C12H7N5O2S/c1-18-10-4-8(14-6-15-10)11-16-12(19-17-11)9-3-2-7(5-13)20-9/h2-4,6H,1H3
InChIKeyGUZAPJPFJHXOFI-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.14
Rot. Bonds3

About 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 106527814) has the molecular formula C12H7N5O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID106527814
Molecular FormulaC12H7N5O2S
Molecular Weight285.29 g/mol
Exact Mass285.03
IUPAC Name5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCOc1cc(-c2noc(-c3ccc(C#N)s3)n2)ncn1
InChIInChI=1S/C12H7N5O2S/c1-18-10-4-8(14-6-15-10)11-16-12(19-17-11)9-3-2-7(5-13)20-9/h2-4,6H,1H3
InChIKeyGUZAPJPFJHXOFI-UHFFFAOYSA-N
XLogP2.14
TPSA97.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104676908
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904552
5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734590
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136889611
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 102949561
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 102949476
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 106527814) is 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is COc1cc(-c2noc(-c3ccc(C#N)s3)n2)ncn1.
What is the InChIKey of 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is GUZAPJPFJHXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O2S/c1-18-10-4-8(14-6-15-10)11-16-12(19-17-11)9-3-2-7(5-13)20-9/h2-4,6H,1H3.
What are the key properties of 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 285.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 106527814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).