(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

Related Compounds

3-[3-tert-Butoxycarbonylaminomethyl-1,2,4-oxadiazol-5-yl]indazole
CID 42637980
(5-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-1H-indazole-3-carboxylate
CID 46856585
5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 71973497
5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434243
[5-(5-fluoro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methylcarbamic acid
CID 68155737
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-1H-indazole-3-carboxylate
CID 51047388
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-1H-indazole-3-carboxylate
CID 51047459
5-[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]pyridin-2(1H)-one
CID 136087915
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-indazole-3-carboxylate
CID 17567765
(3-Methyl-1,2,4-oxadiazol-5-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 18147591
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 29022096

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).