5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C15H15N3OS — CID 63618217

IUPAC5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(CCc3ccccc3)no2)c(N)s1
InChIInChI=1S/C15H15N3OS/c1-10-9-12(14(16)20-10)15-17-13(18-19-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,16H2,1H3
InChIKeyNWXCVAMZOBTEHN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63618217) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63618217
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(CCc3ccccc3)no2)c(N)s1
InChIInChI=1S/C15H15N3OS/c1-10-9-12(14(16)20-10)15-17-13(18-19-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,16H2,1H3
InChIKeyNWXCVAMZOBTEHN-UHFFFAOYSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63618217) is 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cc(-c2nc(CCc3ccccc3)no2)c(N)s1.
What is the InChIKey of 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is NWXCVAMZOBTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-9-12(14(16)20-10)15-17-13(18-19-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,16H2,1H3.
What are the key properties of 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63618217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).