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

C18H25N3O2 — CID 48966203

IUPAC2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCCC3CC3CCCCC3)o2)c1
InChIInChI=1S/C18H25N3O2/c1-2-6-14(7-3-1)12-15-8-4-10-21(15)13-17-19-20-18(23-17)16-9-5-11-22-16/h5,9,11,14-15H,1-4,6-8,10,12-13H2
InChIKeyYXMSFIJJACEPFE-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.26
Rot. Bonds5

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

2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 48966203) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID48966203
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCCC3CC3CCCCC3)o2)c1
InChIInChI=1S/C18H25N3O2/c1-2-6-14(7-3-1)12-15-8-4-10-21(15)13-17-19-20-18(23-17)16-9-5-11-22-16/h5,9,11,14-15H,1-4,6-8,10,12-13H2
InChIKeyYXMSFIJJACEPFE-UHFFFAOYSA-N
XLogP4.26
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromophenyl)-5-[[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97014555
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
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-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62026673
2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95750889
(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
CID 136585921
2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128989795
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 56817361

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 48966203) is 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(CN3CCCC3CC3CCCCC3)o2)c1.
What is the InChIKey of 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is YXMSFIJJACEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-6-14(7-3-1)12-15-8-4-10-21(15)13-17-19-20-18(23-17)16-9-5-11-22-16/h5,9,11,14-15H,1-4,6-8,10,12-13H2.
What are the key properties of 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 48966203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).