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

C16H16N4OS — CID 110217557

IUPAC2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cc(CN2CCCC2c2nnc(-c3ccsc3)o2)ccn1
InChIInChI=1S/C16H16N4OS/c1-2-14(20(8-1)10-12-3-6-17-7-4-12)16-19-18-15(21-16)13-5-9-22-11-13/h3-7,9,11,14H,1-2,8,10H2
InChIKeyCKGGUFFDEBIOFX-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.53
Rot. Bonds4

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

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 110217557) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID110217557
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cc(CN2CCCC2c2nnc(-c3ccsc3)o2)ccn1
InChIInChI=1S/C16H16N4OS/c1-2-14(20(8-1)10-12-3-6-17-7-4-12)16-19-18-15(21-16)13-5-9-22-11-13/h3-7,9,11,14H,1-2,8,10H2
InChIKeyCKGGUFFDEBIOFX-UHFFFAOYSA-N
XLogP3.53
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 92586495
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 95849941
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
2-(4-chlorophenyl)-5-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47055868
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116702
2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571582
2-[(2R)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571581
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116714
2-(4-tert-butylphenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92552698
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 110217557) is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is c1cc(CN2CCCC2c2nnc(-c3ccsc3)o2)ccn1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is CKGGUFFDEBIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-14(20(8-1)10-12-3-6-17-7-4-12)16-19-18-15(21-16)13-5-9-22-11-13/h3-7,9,11,14H,1-2,8,10H2.
What are the key properties of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 312.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110217557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).