[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

C14H13N3O2 — CID 104788905

IUPAC[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCc1occc1-c1noc(-c2cccc(CN)c2)n1
InChIInChI=1S/C14H13N3O2/c1-9-12(5-6-18-9)13-16-14(19-17-13)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3
InChIKeyKJMNCEUTABZNOP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.76
Rot. Bonds3

About [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 104788905) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID104788905
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCc1occc1-c1noc(-c2cccc(CN)c2)n1
InChIInChI=1S/C14H13N3O2/c1-9-12(5-6-18-9)13-16-14(19-17-13)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3
InChIKeyKJMNCEUTABZNOP-UHFFFAOYSA-N
XLogP2.76
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788960
[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 60894269
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482
4-bromo-3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788922
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526811
2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 104788905) is [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is Cc1occc1-c1noc(-c2cccc(CN)c2)n1.
What is the InChIKey of [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is KJMNCEUTABZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-12(5-6-18-9)13-16-14(19-17-13)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3.
What are the key properties of [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 255.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 104788905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).