3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C14H16N6O2 — CID 95305735

IUPAC3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1
InChIInChI=1S/C14H16N6O2/c1-3-11(7-20-10-15-9-16-20)19(5-1)8-13-17-14(18-22-13)12-4-2-6-21-12/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m1/s1
InChIKeyGETCYWUQQYXRCT-LLVKDONJSA-N
MW300.32 g/mol
LogP1.59
Rot. Bonds5

About 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95305735) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95305735
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1
InChIInChI=1S/C14H16N6O2/c1-3-11(7-20-10-15-9-16-20)19(5-1)8-13-17-14(18-22-13)12-4-2-6-21-12/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m1/s1
InChIKeyGETCYWUQQYXRCT-LLVKDONJSA-N
XLogP1.59
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462
3-(2-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95307782
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
3-cyclopropyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95308426
2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95611716
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
4-[2-[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95718058
3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569796

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95305735) is 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is c1coc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is GETCYWUQQYXRCT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-3-11(7-20-10-15-9-16-20)19(5-1)8-13-17-14(18-22-13)12-4-2-6-21-12/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m1/s1.
What are the key properties of 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 300.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95305735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).