5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid

C18H23N3O3S — CID 154763643

IUPAC5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(Cc2ccc(C(=O)O)s2)C3)n1
InChIInChI=1S/C18H23N3O3S/c1-11(2)15-19-17(24-20-15)18-7-3-4-12(18)8-21(10-18)9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyFEJCGFNASZKPNU-SGTLLEGYSA-N
MW361.47 g/mol
LogP3.51
Rot. Bonds5

About 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid

5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 154763643) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid
PubChem CID154763643
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(Cc2ccc(C(=O)O)s2)C3)n1
InChIInChI=1S/C18H23N3O3S/c1-11(2)15-19-17(24-20-15)18-7-3-4-12(18)8-21(10-18)9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyFEJCGFNASZKPNU-SGTLLEGYSA-N
XLogP3.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid (CID 154763643) is 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid is CC(C)c1noc([C@]23CCC[C@H]2CN(Cc2ccc(C(=O)O)s2)C3)n1.
What is the InChIKey of 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is FEJCGFNASZKPNU-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11(2)15-19-17(24-20-15)18-7-3-4-12(18)8-21(10-18)9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,23)/t12-,18-/m0/s1.
What are the key properties of 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid?
5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 361.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 154763643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).