(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate

C14H12N4O3 — CID 166205150

IUPAC(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nc(C2CC2)no1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H12N4O3/c19-14(12-9-3-1-2-4-10(9)16-17-12)20-7-11-15-13(18-21-11)8-5-6-8/h1-4,8H,5-7H2,(H,16,17)
InChIKeyWSZQGXSQWQEBGZ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.18
Rot. Bonds4

About (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate

(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate (PubChem CID 166205150) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate
PubChem CID166205150
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nc(C2CC2)no1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H12N4O3/c19-14(12-9-3-1-2-4-10(9)16-17-12)20-7-11-15-13(18-21-11)8-5-6-8/h1-4,8H,5-7H2,(H,16,17)
InChIKeyWSZQGXSQWQEBGZ-UHFFFAOYSA-N
XLogP2.18
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-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 (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate (CID 166205150) is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate is O=C(OCc1nc(C2CC2)no1)c1n[nH]c2ccccc12.
What is the InChIKey of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate?
The InChIKey is WSZQGXSQWQEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-14(12-9-3-1-2-4-10(9)16-17-12)20-7-11-15-13(18-21-11)8-5-6-8/h1-4,8H,5-7H2,(H,16,17).
What are the key properties of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate?
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 166205150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).