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

C25H24N2O3 — CID 54858611

IUPACN-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCc1ccc2oc(Cc3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1
InChIInChI=1S/C25H24N2O3/c1-3-18-8-13-23-22(14-18)27-25(30-23)15-19-6-9-20(10-7-19)26-24(28)16-29-21-11-4-17(2)5-12-21/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyOMFCWDXTBPRQLP-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.31
Rot. Bonds7

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

N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 54858611) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID54858611
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCc1ccc2oc(Cc3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1
InChIInChI=1S/C25H24N2O3/c1-3-18-8-13-23-22(14-18)27-25(30-23)15-19-6-9-20(10-7-19)26-24(28)16-29-21-11-4-17(2)5-12-21/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyOMFCWDXTBPRQLP-UHFFFAOYSA-N
XLogP5.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
2-(4-bromophenoxy)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858696
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
2-(2,4-dimethylphenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858713
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858688
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 54859298
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide (CID 54858611) is N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide is CCc1ccc2oc(Cc3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1.
What is the InChIKey of N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OMFCWDXTBPRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-18-8-13-23-22(14-18)27-25(30-23)15-19-6-9-20(10-7-19)26-24(28)16-29-21-11-4-17(2)5-12-21/h4-14H,3,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 54858611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).