ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate

C26H27N5O5 — CID 38606446

IUPACethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(NC(=O)CCc3nc(-c4ccc(OCC)cc4)no3)c2)c1C
InChIInChI=1S/C26H27N5O5/c1-4-34-21-11-9-18(10-12-21)25-29-24(36-30-25)14-13-23(32)28-19-7-6-8-20(15-19)31-17(3)22(16-27-31)26(33)35-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,28,32)
InChIKeyRKLVFAPIYAIVNK-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.38
Rot. Bonds10

About ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 38606446) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID38606446
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Nameethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(NC(=O)CCc3nc(-c4ccc(OCC)cc4)no3)c2)c1C
InChIInChI=1S/C26H27N5O5/c1-4-34-21-11-9-18(10-12-21)25-29-24(36-30-25)14-13-23(32)28-19-7-6-8-20(15-19)31-17(3)22(16-27-31)26(33)35-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,28,32)
InChIKeyRKLVFAPIYAIVNK-UHFFFAOYSA-N
XLogP4.38
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-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

3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
ethyl 1-[3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
CID 38606807
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 55836397
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 60552244
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 39632964
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
ethyl 1-[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 120925521
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46588142

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate (CID 38606446) is ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(NC(=O)CCc3nc(-c4ccc(OCC)cc4)no3)c2)c1C.
What is the InChIKey of ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is RKLVFAPIYAIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-4-34-21-11-9-18(10-12-21)25-29-24(36-30-25)14-13-23(32)28-19-7-6-8-20(15-19)31-17(3)22(16-27-31)26(33)35-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,28,32).
What are the key properties of ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 489.53 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 38606446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).