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

C17H19N3O3S — CID 47537063

IUPACN-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1coc(CN(Cc2nc(-c3cccs3)no2)CC2CCCO2)c1
InChIInChI=1S/C17H19N3O3S/c1-4-13(21-7-1)10-20(11-14-5-2-8-22-14)12-16-18-17(19-23-16)15-6-3-9-24-15/h1,3-4,6-7,9,14H,2,5,8,10-12H2
InChIKeyXLNBYUFDPJGBHH-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.57
Rot. Bonds7

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

N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 47537063) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID47537063
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1coc(CN(Cc2nc(-c3cccs3)no2)CC2CCCO2)c1
InChIInChI=1S/C17H19N3O3S/c1-4-13(21-7-1)10-20(11-14-5-2-8-22-14)12-16-18-17(19-23-16)15-6-3-9-24-15/h1,3-4,6-7,9,14H,2,5,8,10-12H2
InChIKeyXLNBYUFDPJGBHH-UHFFFAOYSA-N
XLogP3.57
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 47537063) is N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1coc(CN(Cc2nc(-c3cccs3)no2)CC2CCCO2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is XLNBYUFDPJGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-13(21-7-1)10-20(11-14-5-2-8-22-14)12-16-18-17(19-23-16)15-6-3-9-24-15/h1,3-4,6-7,9,14H,2,5,8,10-12H2.
What are the key properties of N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 345.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 47537063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).