2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C19H18N4O2 — CID 51137269

IUPAC2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)c1
InChIInChI=1S/C19H18N4O2/c1-2-5-16-15(4-1)14(10-20-16)12-23-8-7-13(11-23)18-21-22-19(25-18)17-6-3-9-24-17/h1-6,9-10,13,20H,7-8,11-12H2/t13-/m0/s1
InChIKeyIAYHQDQWYKNFGV-ZDUSSCGKSA-N
MW334.38 g/mol
LogP3.80
Rot. Bonds4

About 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137269) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137269
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)c1
InChIInChI=1S/C19H18N4O2/c1-2-5-16-15(4-1)14(10-20-16)12-23-8-7-13(11-23)18-21-22-19(25-18)17-6-3-9-24-17/h1-6,9-10,13,20H,7-8,11-12H2/t13-/m0/s1
InChIKeyIAYHQDQWYKNFGV-ZDUSSCGKSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 75615260
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 75615258
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 90543355
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137269) is 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is c1coc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is IAYHQDQWYKNFGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-5-16-15(4-1)14(10-20-16)12-23-8-7-13(11-23)18-21-22-19(25-18)17-6-3-9-24-17/h1-6,9-10,13,20H,7-8,11-12H2/t13-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 334.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).