N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine

C14H20N4O2 — CID 107424073

IUPACN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(-c2nnc(CNC3(C)CCNC3)o2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-6-11(10(2)19-9)13-18-17-12(20-13)7-16-14(3)4-5-15-8-14/h6,15-16H,4-5,7-8H2,1-3H3
InChIKeyHSSAGMJLEBPXSD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds4

About N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine

N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107424073) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine
PubChem CID107424073
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(-c2nnc(CNC3(C)CCNC3)o2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-6-11(10(2)19-9)13-18-17-12(20-13)7-16-14(3)4-5-15-8-14/h6,15-16H,4-5,7-8H2,1-3H3
InChIKeyHSSAGMJLEBPXSD-UHFFFAOYSA-N
XLogP1.79
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine (CID 107424073) is N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine is Cc1cc(-c2nnc(CNC3(C)CCNC3)o2)c(C)o1.
What is the InChIKey of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is HSSAGMJLEBPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-6-11(10(2)19-9)13-18-17-12(20-13)7-16-14(3)4-5-15-8-14/h6,15-16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine?
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).