2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole

C17H18N4OS — CID 110243137

IUPAC2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCCN3Cc3ccccn3)o2)s1
InChIInChI=1S/C17H18N4OS/c1-12-7-8-15(23-12)17-20-19-16(22-17)14-6-4-10-21(14)11-13-5-2-3-9-18-13/h2-3,5,7-9,14H,4,6,10-11H2,1H3
InChIKeyWASCGZWPUVUNPI-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole

2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 110243137) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID110243137
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3CCCN3Cc3ccccn3)o2)s1
InChIInChI=1S/C17H18N4OS/c1-12-7-8-15(23-12)17-20-19-16(22-17)14-6-4-10-21(14)11-13-5-2-3-9-18-13/h2-3,5,7-9,14H,4,6,10-11H2,1H3
InChIKeyWASCGZWPUVUNPI-UHFFFAOYSA-N
XLogP3.84
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459267
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 110217580
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559559
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
3-(4-chlorophenoxy)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110217569
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217567
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole (CID 110243137) is 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C3CCCN3Cc3ccccn3)o2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is WASCGZWPUVUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-7-8-15(23-12)17-20-19-16(22-17)14-6-4-10-21(14)11-13-5-2-3-9-18-13/h2-3,5,7-9,14H,4,6,10-11H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole?
2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 326.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 110243137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).