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

C12H17N3O3 — CID 50982316

IUPACN-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccoc1)Cc1nc(COC)no1
InChIInChI=1S/C12H17N3O3/c1-3-15(6-10-4-5-17-8-10)7-12-13-11(9-16-2)14-18-12/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyREWOSSLWRQKBOI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.83
Rot. Bonds7

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

N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 50982316) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID50982316
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccoc1)Cc1nc(COC)no1
InChIInChI=1S/C12H17N3O3/c1-3-15(6-10-4-5-17-8-10)7-12-13-11(9-16-2)14-18-12/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyREWOSSLWRQKBOI-UHFFFAOYSA-N
XLogP1.83
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 50982316) is N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1ccoc1)Cc1nc(COC)no1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is REWOSSLWRQKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(6-10-4-5-17-8-10)7-12-13-11(9-16-2)14-18-12/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 251.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 50982316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).