3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole

C18H15N3OS — CID 177466079

IUPAC3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1sc(-n2cccc2)c(-c2noc(-c3ccccc3)n2)c1C
InChIInChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-10-6-7-11-21)15(12)16-19-17(22-20-16)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyHDTTUBJUQQGNJF-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.87
Rot. Bonds3

About 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole

3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 177466079) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID177466079
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1sc(-n2cccc2)c(-c2noc(-c3ccccc3)n2)c1C
InChIInChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-10-6-7-11-21)15(12)16-19-17(22-20-16)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyHDTTUBJUQQGNJF-UHFFFAOYSA-N
XLogP4.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43109078
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole
CID 118538374
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole
CID 5304183
3-imidazo[1,2-a]pyridin-6-yl-5-phenyl-1,2,4-oxadiazole
CID 139270871
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole
CID 135592966
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole (CID 177466079) is 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole is Cc1sc(-n2cccc2)c(-c2noc(-c3ccccc3)n2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HDTTUBJUQQGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-10-6-7-11-21)15(12)16-19-17(22-20-16)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole?
3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 321.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 177466079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).