N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C13H19N3O2 — CID 50959841

IUPACN-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCc1nc(CN(CC)Cc2ccoc2)no1
InChIInChI=1S/C13H19N3O2/c1-3-5-13-14-12(15-18-13)9-16(4-2)8-11-6-7-17-10-11/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKIUKOBSUYBLFLP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.64
Rot. Bonds7

About N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 50959841) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID50959841
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCc1nc(CN(CC)Cc2ccoc2)no1
InChIInChI=1S/C13H19N3O2/c1-3-5-13-14-12(15-18-13)9-16(4-2)8-11-6-7-17-10-11/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKIUKOBSUYBLFLP-UHFFFAOYSA-N
XLogP2.64
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 50959841) is N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCCc1nc(CN(CC)Cc2ccoc2)no1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is KIUKOBSUYBLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-5-13-14-12(15-18-13)9-16(4-2)8-11-6-7-17-10-11/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 50959841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).