3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

C21H19ClN6O2 — CID 122307613

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C21H19ClN6O2/c1-14-19(20(27-30-14)15-6-2-3-7-16(15)22)21(29)24-11-10-23-17-8-9-18(26-25-17)28-12-4-5-13-28/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,29)
InChIKeyBUGNELGZDWLWDV-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.73
Rot. Bonds7

About 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 122307613) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID122307613
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C21H19ClN6O2/c1-14-19(20(27-30-14)15-6-2-3-7-16(15)22)21(29)24-11-10-23-17-8-9-18(26-25-17)28-12-4-5-13-28/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,29)
InChIKeyBUGNELGZDWLWDV-UHFFFAOYSA-N
XLogP3.73
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide 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-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (CID 122307613) is 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc(-n2cccc2)nn1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BUGNELGZDWLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-14-19(20(27-30-14)15-6-2-3-7-16(15)22)21(29)24-11-10-23-17-8-9-18(26-25-17)28-12-4-5-13-28/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,29).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122307613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).