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

C17H24N4O3 — CID 128989795

IUPAC2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C17H24N4O3/c1-22-14-9-13(10-20-6-2-3-7-20)21(11-14)12-16-18-19-17(24-16)15-5-4-8-23-15/h4-5,8,13-14H,2-3,6-7,9-12H2,1H3/t13-,14-/m0/s1
InChIKeyFWGKTICJZJTPBH-KBPBESRZSA-N
MW332.40 g/mol
LogP2.01
Rot. Bonds6

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

2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128989795) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128989795
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C17H24N4O3/c1-22-14-9-13(10-20-6-2-3-7-20)21(11-14)12-16-18-19-17(24-16)15-5-4-8-23-15/h4-5,8,13-14H,2-3,6-7,9-12H2,1H3/t13-,14-/m0/s1
InChIKeyFWGKTICJZJTPBH-KBPBESRZSA-N
XLogP2.01
TPSA67.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
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-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
3-cyclopentyl-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128989830
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
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
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-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 135106989
(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
CID 95182210

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128989795) is 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2nnc(-c3ccco3)o2)C1.
What is the InChIKey of 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is FWGKTICJZJTPBH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-22-14-9-13(10-20-6-2-3-7-20)21(11-14)12-16-18-19-17(24-16)15-5-4-8-23-15/h4-5,8,13-14H,2-3,6-7,9-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 332.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128989795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).