[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate

C13H14N2O3S — CID 95197535

IUPAC[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate
SMILESCc1noc([C@H](C)OC(=O)c2sccc2C2CC2)n1
InChIInChI=1S/C13H14N2O3S/c1-7(12-14-8(2)15-18-12)17-13(16)11-10(5-6-19-11)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyJRIFQYYYQJSEAP-ZETCQYMHSA-N
MW278.33 g/mol
LogP3.23
Rot. Bonds4

About [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate

[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate (PubChem CID 95197535) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate
PubChem CID95197535
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate
SMILESCc1noc([C@H](C)OC(=O)c2sccc2C2CC2)n1
InChIInChI=1S/C13H14N2O3S/c1-7(12-14-8(2)15-18-12)17-13(16)11-10(5-6-19-11)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyJRIFQYYYQJSEAP-ZETCQYMHSA-N
XLogP3.23
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate?
The IUPAC name of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate (CID 95197535) is [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate?
The canonical SMILES for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate is Cc1noc([C@H](C)OC(=O)c2sccc2C2CC2)n1.
What is the InChIKey of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate?
The InChIKey is JRIFQYYYQJSEAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7(12-14-8(2)15-18-12)17-13(16)11-10(5-6-19-11)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate?
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate is sourced from PubChem (CID 95197535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).