1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine

C12H17N3O2 — CID 103931631

IUPAC1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2noc(C)n2)o1
InChIInChI=1S/C12H17N3O2/c1-8-4-5-11(16-8)9(2)13-7-6-12-14-10(3)17-15-12/h4-5,9,13H,6-7H2,1-3H3
InChIKeyXRQIMIBMBHGVNM-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.17
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine

1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 103931631) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID103931631
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2noc(C)n2)o1
InChIInChI=1S/C12H17N3O2/c1-8-4-5-11(16-8)9(2)13-7-6-12-14-10(3)17-15-12/h4-5,9,13H,6-7H2,1-3H3
InChIKeyXRQIMIBMBHGVNM-UHFFFAOYSA-N
XLogP2.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 99820946
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106413333
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 75504570
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 103931631) is 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCc2noc(C)n2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is XRQIMIBMBHGVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-5-11(16-8)9(2)13-7-6-12-14-10(3)17-15-12/h4-5,9,13H,6-7H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103931631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).