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

C15H16N4O — CID 51137356

IUPAC2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(Cc3nnc([C@H]4CCNC4)o3)c[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-4-13-12(3-1)11(9-17-13)7-14-18-19-15(20-14)10-5-6-16-8-10/h1-4,9-10,16-17H,5-8H2/t10-/m0/s1
InChIKeyKCIRHZHWCOBSML-JTQLQIEISA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds3

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

2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137356) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137356
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(Cc3nnc([C@H]4CCNC4)o3)c[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-4-13-12(3-1)11(9-17-13)7-14-18-19-15(20-14)10-5-6-16-8-10/h1-4,9-10,16-17H,5-8H2/t10-/m0/s1
InChIKeyKCIRHZHWCOBSML-JTQLQIEISA-N
XLogP2.22
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29151879
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 82471262
2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
CID 12921346
3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 59208274
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
CID 140992063
2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137269
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
CID 45215135
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
N-ethyl-2-(1H-indol-3-yl)-N-pyrrolidin-3-ylacetamide
CID 63299295

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137356) is 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is c1ccc2c(Cc3nnc([C@H]4CCNC4)o3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is KCIRHZHWCOBSML-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-13-12(3-1)11(9-17-13)7-14-18-19-15(20-14)10-5-6-16-8-10/h1-4,9-10,16-17H,5-8H2/t10-/m0/s1.
What are the key properties of 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).