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

C14H15N3O2 — CID 62343088

IUPACN-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2cc3cc(C)ccc3o2)n1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11-10(7-9)8-12(18-11)14-16-13(17-19-14)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyMMBGOGGMPAWISB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds4

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

N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62343088) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62343088
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2cc3cc(C)ccc3o2)n1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11-10(7-9)8-12(18-11)14-16-13(17-19-14)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyMMBGOGGMPAWISB-UHFFFAOYSA-N
XLogP2.55
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 136829647
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 114269679
N-methyl-2-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79755402
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72914270
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 62343088) is N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(-c2cc3cc(C)ccc3o2)n1.
What is the InChIKey of N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MMBGOGGMPAWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-11-10(7-9)8-12(18-11)14-16-13(17-19-14)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62343088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).