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

C17H21N5O3 — CID 95750889

IUPAC2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1c([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c(C)nn1C
InChIInChI=1S/C17H21N5O3/c1-11-15(17(23-3)21(2)20-11)12-6-4-8-22(12)10-14-18-19-16(25-14)13-7-5-9-24-13/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1
InChIKeyNLTKDJZMDDDOEC-GFCCVEGCSA-N
MW343.39 g/mol
LogP2.72
Rot. Bonds5

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

2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95750889) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95750889
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1c([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c(C)nn1C
InChIInChI=1S/C17H21N5O3/c1-11-15(17(23-3)21(2)20-11)12-6-4-8-22(12)10-14-18-19-16(25-14)13-7-5-9-24-13/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1
InChIKeyNLTKDJZMDDDOEC-GFCCVEGCSA-N
XLogP2.72
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 95751032
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62026673
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
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
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
5-methoxy-4-[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-1,3-dimethylpyrazole
CID 95750913
(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 100842107
2-[2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95751012
4-fluoro-2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 95751044

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95750889) is 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is COc1c([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c(C)nn1C.
What is the InChIKey of 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is NLTKDJZMDDDOEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-15(17(23-3)21(2)20-11)12-6-4-8-22(12)10-14-18-19-16(25-14)13-7-5-9-24-13/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 343.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95750889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).