3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole

C12H18N4O2 — CID 72908575

IUPAC3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1cc(-c2nc(CCOC)no2)n(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-5-9-8-10(16(2)14-9)12-13-11(15-18-12)6-7-17-3/h8H,4-7H2,1-3H3
InChIKeyHDUBJXBTDCCAMO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds6

About 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 72908575) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID72908575
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1cc(-c2nc(CCOC)no2)n(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-5-9-8-10(16(2)14-9)12-13-11(15-18-12)6-7-17-3/h8H,4-7H2,1-3H3
InChIKeyHDUBJXBTDCCAMO-UHFFFAOYSA-N
XLogP1.61
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole 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-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole (CID 72908575) is 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole is CCCc1cc(-c2nc(CCOC)no2)n(C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HDUBJXBTDCCAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-5-9-8-10(16(2)14-9)12-13-11(15-18-12)6-7-17-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(1-methyl-3-propylpyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72908575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).