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

C17H21N5O2 — CID 95354195

IUPAC2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)n1
InChIInChI=1S/C17H21N5O2/c1-12-9-13(2)22(20-12)10-14-5-3-7-21(14)11-16-18-19-17(24-16)15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyQGXBMTVPHYWFPZ-AWEZNQCLSA-N
MW327.39 g/mol
LogP2.81
Rot. Bonds5

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

2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 95354195) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID95354195
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)n1
InChIInChI=1S/C17H21N5O2/c1-12-9-13(2)22(20-12)10-14-5-3-7-21(14)11-16-18-19-17(24-16)15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyQGXBMTVPHYWFPZ-AWEZNQCLSA-N
XLogP2.81
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304
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
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62026673
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314
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-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 95354195) is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is Cc1cc(C)n(C[C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)n1.
What is the InChIKey of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is QGXBMTVPHYWFPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-9-13(2)22(20-12)10-14-5-3-7-21(14)11-16-18-19-17(24-16)15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 95354195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).