1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate

C19H16N4O3S — CID 55563409

IUPAC1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate
SMILESCC(OC(=O)Cc1cnn(-c2ccccc2)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C19H16N4O3S/c1-13(18-21-22-19(26-18)16-8-5-9-27-16)25-17(24)10-14-11-20-23(12-14)15-6-3-2-4-7-15/h2-9,11-13H,10H2,1H3
InChIKeyTYRSUFQQVRPVDI-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.83
Rot. Bonds6

About 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 55563409) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID55563409
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate
SMILESCC(OC(=O)Cc1cnn(-c2ccccc2)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C19H16N4O3S/c1-13(18-21-22-19(26-18)16-8-5-9-27-16)25-17(24)10-14-11-20-23(12-14)15-6-3-2-4-7-15/h2-9,11-13H,10H2,1H3
InChIKeyTYRSUFQQVRPVDI-UHFFFAOYSA-N
XLogP3.83
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
CID 7696095
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
CID 55459291
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7697587
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,2-diphenylacetate
CID 7699767
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55425533
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-bromophenoxy)acetate
CID 7702444
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7715970
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 36989883
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7702897
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7705576
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-formylbenzoate
CID 7698144

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate (CID 55563409) is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate is CC(OC(=O)Cc1cnn(-c2ccccc2)c1)c1nnc(-c2cccs2)o1.
What is the InChIKey of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is TYRSUFQQVRPVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-13(18-21-22-19(26-18)16-8-5-9-27-16)25-17(24)10-14-11-20-23(12-14)15-6-3-2-4-7-15/h2-9,11-13H,10H2,1H3.
What are the key properties of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate?
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 380.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 55563409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).