2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C18H20N4O2 — CID 124754849

IUPAC2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(CN3CCCCC[C@@H]3c3ccco3)o2)c1
InChIInChI=1S/C18H20N4O2/c1-2-7-15(16-8-5-11-23-16)22(10-3-1)13-17-20-21-18(24-17)14-6-4-9-19-12-14/h4-6,8-9,11-12,15H,1-3,7,10,13H2/t15-/m1/s1
InChIKeyPAJXTIGRNTXLKX-OAHLLOKOSA-N
MW324.38 g/mol
LogP3.84
Rot. Bonds4

About 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 124754849) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID124754849
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(CN3CCCCC[C@@H]3c3ccco3)o2)c1
InChIInChI=1S/C18H20N4O2/c1-2-7-15(16-8-5-11-23-16)22(10-3-1)13-17-20-21-18(24-17)14-6-4-9-19-12-14/h4-6,8-9,11-12,15H,1-3,7,10,13H2/t15-/m1/s1
InChIKeyPAJXTIGRNTXLKX-OAHLLOKOSA-N
XLogP3.84
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124751627
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 91838424
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46805900
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 124754849) is 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(CN3CCCCC[C@@H]3c3ccco3)o2)c1.
What is the InChIKey of 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is PAJXTIGRNTXLKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-7-15(16-8-5-11-23-16)22(10-3-1)13-17-20-21-18(24-17)14-6-4-9-19-12-14/h4-6,8-9,11-12,15H,1-3,7,10,13H2/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 124754849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).