3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C15H19N3O2S — CID 116703615

IUPAC3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCOC(c1noc(-c2c(N)sc3c2CCC3)n1)C1CC1
InChIInChI=1S/C15H19N3O2S/c1-2-19-12(8-6-7-8)14-17-15(20-18-14)11-9-4-3-5-10(9)21-13(11)16/h8,12H,2-7,16H2,1H3
InChIKeyJZIJFJSTUGHBON-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds5

About 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 116703615) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID116703615
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCOC(c1noc(-c2c(N)sc3c2CCC3)n1)C1CC1
InChIInChI=1S/C15H19N3O2S/c1-2-19-12(8-6-7-8)14-17-15(20-18-14)11-9-4-3-5-10(9)21-13(11)16/h8,12H,2-7,16H2,1H3
InChIKeyJZIJFJSTUGHBON-UHFFFAOYSA-N
XLogP3.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 116703615) is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is CCOC(c1noc(-c2c(N)sc3c2CCC3)n1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is JZIJFJSTUGHBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-19-12(8-6-7-8)14-17-15(20-18-14)11-9-4-3-5-10(9)21-13(11)16/h8,12H,2-7,16H2,1H3.
What are the key properties of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 305.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 116703615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).