2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide

C25H18Cl2N4O2 — CID 10184103

IUPAC2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)Cc4ccc(Cl)cc4Cl)cc3)oc2c1
InChIInChI=1S/C25H18Cl2N4O2/c1-14-2-9-21-22(10-14)33-25(30-21)19-13-28-31-24(19)15-4-7-18(8-5-15)29-23(32)11-16-3-6-17(26)12-20(16)27/h2-10,12-13H,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyMMYFYKCCVYDCOH-UHFFFAOYSA-N
MW477.35 g/mol
LogP6.68
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide

2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide (PubChem CID 10184103) has the molecular formula C25H18Cl2N4O2 and a molecular weight of 477.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide
PubChem CID10184103
Molecular FormulaC25H18Cl2N4O2
Molecular Weight477.35 g/mol
Exact Mass476.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)Cc4ccc(Cl)cc4Cl)cc3)oc2c1
InChIInChI=1S/C25H18Cl2N4O2/c1-14-2-9-21-22(10-14)33-25(30-21)19-13-28-31-24(19)15-4-7-18(8-5-15)29-23(32)11-16-3-6-17(26)12-20(16)27/h2-10,12-13H,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyMMYFYKCCVYDCOH-UHFFFAOYSA-N
XLogP6.68
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-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 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide (CID 10184103) is 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide is Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)Cc4ccc(Cl)cc4Cl)cc3)oc2c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The InChIKey is MMYFYKCCVYDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O2/c1-14-2-9-21-22(10-14)33-25(30-21)19-13-28-31-24(19)15-4-7-18(8-5-15)29-23(32)11-16-3-6-17(26)12-20(16)27/h2-10,12-13H,11H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide has a molecular weight of 477.35 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 10184103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).