N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine

C19H21N3O3 — CID 94163146

IUPACN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
SMILESC[C@@H]1C[C@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1
InChIInChI=1S/C19H21N3O3/c1-12-9-15(12)16-7-6-14(24-16)10-22(13-4-5-13)11-18-20-21-19(25-18)17-3-2-8-23-17/h2-3,6-8,12-13,15H,4-5,9-11H2,1H3/t12-,15-/m1/s1
InChIKeyWLERVQQLVFPHQM-IUODEOHRSA-N
MW339.39 g/mol
LogP4.21
Rot. Bonds7

About N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 94163146) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID94163146
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
SMILESC[C@@H]1C[C@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1
InChIInChI=1S/C19H21N3O3/c1-12-9-15(12)16-7-6-14(24-16)10-22(13-4-5-13)11-18-20-21-19(25-18)17-3-2-8-23-17/h2-3,6-8,12-13,15H,4-5,9-11H2,1H3/t12-,15-/m1/s1
InChIKeyWLERVQQLVFPHQM-IUODEOHRSA-N
XLogP4.21
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine (CID 94163146) is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine is C[C@@H]1C[C@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WLERVQQLVFPHQM-IUODEOHRSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-9-15(12)16-7-6-14(24-16)10-22(13-4-5-13)11-18-20-21-19(25-18)17-3-2-8-23-17/h2-3,6-8,12-13,15H,4-5,9-11H2,1H3/t12-,15-/m1/s1.
What are the key properties of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 339.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 94163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).