2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

C23H19ClN2O3 — CID 3314358

IUPAC2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C23H19ClN2O3/c1-14-3-6-16(23-26-20-13-18(28-2)9-10-21(20)29-23)12-19(14)25-22(27)11-15-4-7-17(24)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)
InChIKeyZQLLORFKPMGRHE-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.65
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 3314358) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
PubChem CID3314358
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C23H19ClN2O3/c1-14-3-6-16(23-26-20-13-18(28-2)9-10-21(20)29-23)12-19(14)25-22(27)11-15-4-7-17(24)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)
InChIKeyZQLLORFKPMGRHE-UHFFFAOYSA-N
XLogP5.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056
N-(4-(5-Chlorobenzo[d]oxazol-2-yl)phenyl)acetamide
CID 401582
2-Methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 721050
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211659
4-[(E)-2-[4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211661
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211865
4-[(E)-2-[4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211867
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25212067
4-[(E)-2-[4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25212068
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
CID 1334105
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1506601
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3161496

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CID 3314358) is 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is ZQLLORFKPMGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-3-6-16(23-26-20-13-18(28-2)9-10-21(20)29-23)12-19(14)25-22(27)11-15-4-7-17(24)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 3314358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).