2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H15N3OS — CID 79975488

IUPAC2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCc1ccsc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H15N3OS/c1-4-7-5-6-16-8(7)9-13-10(14-15-9)11(2,3)12/h5-6H,4,12H2,1-3H3
InChIKeyHFWPIYBMMHKCBB-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.55
Rot. Bonds3

About 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 79975488) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID79975488
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCc1ccsc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H15N3OS/c1-4-7-5-6-16-8(7)9-13-10(14-15-9)11(2,3)12/h5-6H,4,12H2,1-3H3
InChIKeyHFWPIYBMMHKCBB-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 79975488) is 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCc1ccsc1-c1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is HFWPIYBMMHKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-7-5-6-16-8(7)9-13-10(14-15-9)11(2,3)12/h5-6H,4,12H2,1-3H3.
What are the key properties of 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 237.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 79975488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).