N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide

C27H19ClN2O3 — CID 41111162

IUPACN-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(-c2onc3ccc(C(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)cc23)cc1
InChIInChI=1S/C27H19ClN2O3/c1-17-2-4-18(5-3-17)26-24-16-19(6-15-25(24)30-33-26)27(31)29-21-9-13-23(14-10-21)32-22-11-7-20(28)8-12-22/h2-16H,1H3,(H,29,31)
InChIKeySAXBXEQXQHFHEQ-UHFFFAOYSA-N
MW454.91 g/mol
LogP7.50
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide

N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 41111162) has the molecular formula C27H19ClN2O3 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
PubChem CID41111162
Molecular FormulaC27H19ClN2O3
Molecular Weight454.91 g/mol
Exact Mass454.11
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(-c2onc3ccc(C(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)cc23)cc1
InChIInChI=1S/C27H19ClN2O3/c1-17-2-4-18(5-3-17)26-24-16-19(6-15-25(24)30-33-26)27(31)29-21-9-13-23(14-10-21)32-22-11-7-20(28)8-12-22/h2-16H,1H3,(H,29,31)
InChIKeySAXBXEQXQHFHEQ-UHFFFAOYSA-N
XLogP7.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide 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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 46350545
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
(E)-3-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 18863299
N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
CID 22575642
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide (CID 41111162) is N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide is Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)cc23)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is SAXBXEQXQHFHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O3/c1-17-2-4-18(5-3-17)26-24-16-19(6-15-25(24)30-33-26)27(31)29-21-9-13-23(14-10-21)32-22-11-7-20(28)8-12-22/h2-16H,1H3,(H,29,31).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 7.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 41111162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).