[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate

C15H12N2O3S — CID 9380865

IUPAC[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccsc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H12N2O3S/c1-10(19-15(18)12-7-8-21-9-12)14-16-13(17-20-14)11-5-3-2-4-6-11/h2-10H,1H3/t10-/m1/s1
InChIKeyFOSRPPSBUUOAFU-SNVBAGLBSA-N
MW300.34 g/mol
LogP3.72
Rot. Bonds4

About [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate

[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate (PubChem CID 9380865) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
PubChem CID9380865
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccsc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H12N2O3S/c1-10(19-15(18)12-7-8-21-9-12)14-16-13(17-20-14)11-5-3-2-4-6-11/h2-10H,1H3/t10-/m1/s1
InChIKeyFOSRPPSBUUOAFU-SNVBAGLBSA-N
XLogP3.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 9478487
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromo-4-methoxybenzoate
CID 9380473
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 2-bromo-5-fluorobenzoate
CID 9473807
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475068
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
CID 44605912
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477230
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
[phenyl(pyridin-4-yl)methyl] thiophene-3-carboxylate
CID 86863212
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
CID 46688253
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55530161
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate?
The IUPAC name of [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate (CID 9380865) is [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate.
What is the SMILES notation for [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate?
The canonical SMILES for [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate is C[C@@H](OC(=O)c1ccsc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate?
The InChIKey is FOSRPPSBUUOAFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-10(19-15(18)12-7-8-21-9-12)14-16-13(17-20-14)11-5-3-2-4-6-11/h2-10H,1H3/t10-/m1/s1.
What are the key properties of [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate?
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate is sourced from PubChem (CID 9380865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).