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

C15H16N4O2 — CID 95899798

IUPAC2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1c[nH]c([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C15H16N4O2/c1-4-11(16-7-1)12-5-2-8-19(12)10-14-17-18-15(21-14)13-6-3-9-20-13/h1,3-4,6-7,9,12,16H,2,5,8,10H2/t12-/m0/s1
InChIKeyBXHZMUUKWLUAMZ-LBPRGKRZSA-N
MW284.32 g/mol
LogP2.99
Rot. Bonds4

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

2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95899798) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95899798
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1c[nH]c([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C15H16N4O2/c1-4-11(16-7-1)12-5-2-8-19(12)10-14-17-18-15(21-14)13-6-3-9-20-13/h1,3-4,6-7,9,12,16H,2,5,8,10H2/t12-/m0/s1
InChIKeyBXHZMUUKWLUAMZ-LBPRGKRZSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95750889
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94173381
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62026673
(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
CID 136585921
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 72902103
2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95153292
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95899798) is 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is c1c[nH]c([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BXHZMUUKWLUAMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-11(16-7-1)12-5-2-8-19(12)10-14-17-18-15(21-14)13-6-3-9-20-13/h1,3-4,6-7,9,12,16H,2,5,8,10H2/t12-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 2.99, 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-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).