(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

C18H14N4O3S — CID 30706243

IUPAC(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCc3noc(-c4ccsc4)n3)[nH]n2)cc1
InChIInChI=1S/C18H14N4O3S/c1-11-2-4-12(5-3-11)14-8-15(21-20-14)18(23)24-9-16-19-17(25-22-16)13-6-7-26-10-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyRTABLWVJTAGLGA-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.85
Rot. Bonds5

About (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 30706243) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
PubChem CID30706243
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCc3noc(-c4ccsc4)n3)[nH]n2)cc1
InChIInChI=1S/C18H14N4O3S/c1-11-2-4-12(5-3-11)14-8-15(21-20-14)18(23)24-9-16-19-17(25-22-16)13-6-7-26-10-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyRTABLWVJTAGLGA-UHFFFAOYSA-N
XLogP3.85
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24675497
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 24674763
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 24675613
(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477490
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-methylfuran-2-carboxylate
CID 30658249
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55554169
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
CID 24669546

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate (CID 30706243) is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate is Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccsc4)n3)[nH]n2)cc1.
What is the InChIKey of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is RTABLWVJTAGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-11-2-4-12(5-3-11)14-8-15(21-20-14)18(23)24-9-16-19-17(25-22-16)13-6-7-26-10-13/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate?
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 30706243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).