ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate

C14H12N4O3 — CID 63379364

IUPACethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C14H12N4O3/c1-2-20-14(19)12-16-13(21-17-12)10-8-15-18(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyLBPKTZZVYKLAKV-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.10
Rot. Bonds4

About ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 63379364) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID63379364
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Nameethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C14H12N4O3/c1-2-20-14(19)12-16-13(21-17-12)10-8-15-18(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyLBPKTZZVYKLAKV-UHFFFAOYSA-N
XLogP2.10
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate (CID 63379364) is ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is LBPKTZZVYKLAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-2-20-14(19)12-16-13(21-17-12)10-8-15-18(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 63379364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).