N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide

C23H20N6O2 — CID 156704746

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
SMILESCc1noc(NC(=O)Cc2ccc(-n3cnc4cc(-c5cn[nH]c5)ccc43)cc2)c1C
InChIInChI=1S/C23H20N6O2/c1-14-15(2)28-31-23(14)27-22(30)9-16-3-6-19(7-4-16)29-13-24-20-10-17(5-8-21(20)29)18-11-25-26-12-18/h3-8,10-13H,9H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyCKQWMEDXEQBQCB-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.20
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide (PubChem CID 156704746) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
PubChem CID156704746
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
SMILESCc1noc(NC(=O)Cc2ccc(-n3cnc4cc(-c5cn[nH]c5)ccc43)cc2)c1C
InChIInChI=1S/C23H20N6O2/c1-14-15(2)28-31-23(14)27-22(30)9-16-3-6-19(7-4-16)29-13-24-20-10-17(5-8-21(20)29)18-11-25-26-12-18/h3-8,10-13H,9H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyCKQWMEDXEQBQCB-UHFFFAOYSA-N
XLogP4.20
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide 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 N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide (CID 156704746) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide is Cc1noc(NC(=O)Cc2ccc(-n3cnc4cc(-c5cn[nH]c5)ccc43)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is CKQWMEDXEQBQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-14-15(2)28-31-23(14)27-22(30)9-16-3-6-19(7-4-16)29-13-24-20-10-17(5-8-21(20)29)18-11-25-26-12-18/h3-8,10-13H,9H2,1-2H3,(H,25,26)(H,27,30).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 156704746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).