N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

C24H21ClN2O3 — CID 1333954

IUPACN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O3/c1-14-4-9-22-21(10-14)27-24(30-22)17-6-8-19(25)20(12-17)26-23(28)13-29-18-7-5-15(2)16(3)11-18/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyXFPPOMWFHGSIML-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.09
Rot. Bonds5

About N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 1333954) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID1333954
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O3/c1-14-4-9-22-21(10-14)27-24(30-22)17-6-8-19(25)20(12-17)26-23(28)13-29-18-7-5-15(2)16(3)11-18/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyXFPPOMWFHGSIML-UHFFFAOYSA-N
XLogP6.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17110571
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3996147
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1364375
N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 23821049
N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 1325340
2-(4-chloro-3-methylphenoxy)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1362838
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (CID 1333954) is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1.
What is the InChIKey of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is XFPPOMWFHGSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-14-4-9-22-21(10-14)27-24(30-22)17-6-8-19(25)20(12-17)26-23(28)13-29-18-7-5-15(2)16(3)11-18/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 420.90 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 1333954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).