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

C15H15N3O2 — CID 104788871

IUPAC1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1occc1-c1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-12(7-8-19-10)14-17-15(20-18-14)13(16)9-11-5-3-2-4-6-11/h2-8,13H,9,16H2,1H3
InChIKeyFSWLPGVUFDRQRI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.88
Rot. Bonds4

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

1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 104788871) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID104788871
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1occc1-c1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-12(7-8-19-10)14-17-15(20-18-14)13(16)9-11-5-3-2-4-6-11/h2-8,13H,9,16H2,1H3
InChIKeyFSWLPGVUFDRQRI-UHFFFAOYSA-N
XLogP2.88
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
(1S)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565554
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113453475
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104902160
[2-[5-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-3-yl]phenyl] 2,2,2-trifluoroacetate
CID 142693144

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 104788871) is 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is Cc1occc1-c1noc(C(N)Cc2ccccc2)n1.
What is the InChIKey of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is FSWLPGVUFDRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-12(7-8-19-10)14-17-15(20-18-14)13(16)9-11-5-3-2-4-6-11/h2-8,13H,9,16H2,1H3.
What are the key properties of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 269.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 104788871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).