N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine

C18H20N4O3 — CID 94799650

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2noc(-c3ccco3)n2)C[C@H]2CCCO2)c1
InChIInChI=1S/C18H20N4O3/c1-4-14(10-19-7-1)11-22(12-15-5-2-8-23-15)13-17-20-18(25-21-17)16-6-3-9-24-16/h1,3-4,6-7,9-10,15H,2,5,8,11-13H2/t15-/m1/s1
InChIKeyWEZMSMYAHGRLIV-OAHLLOKOSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds7

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 94799650) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID94799650
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2noc(-c3ccco3)n2)C[C@H]2CCCO2)c1
InChIInChI=1S/C18H20N4O3/c1-4-14(10-19-7-1)11-22(12-15-5-2-8-23-15)13-17-20-18(25-21-17)16-6-3-9-24-16/h1,3-4,6-7,9-10,15H,2,5,8,11-13H2/t15-/m1/s1
InChIKeyWEZMSMYAHGRLIV-OAHLLOKOSA-N
XLogP2.91
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 51086858
1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 110905251
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97237374
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
N-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ylmethyl)-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75513847
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 94799650) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CN(Cc2noc(-c3ccco3)n2)C[C@H]2CCCO2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is WEZMSMYAHGRLIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-14(10-19-7-1)11-22(12-15-5-2-8-23-15)13-17-20-18(25-21-17)16-6-3-9-24-16/h1,3-4,6-7,9-10,15H,2,5,8,11-13H2/t15-/m1/s1.
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 340.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 94799650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).