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

C27H25N5O3 — CID 46366684

IUPACN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C27H25N5O3/c1-3-18-5-11-24-22(13-18)31-27(35-24)20-7-9-21(10-8-20)30-26(33)15-34-25-12-6-19(4-2)14-23(25)32-16-28-29-17-32/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,33)
InChIKeyXEYKFXNIFCVSER-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.22
Rot. Bonds8

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

N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 46366684) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID46366684
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C27H25N5O3/c1-3-18-5-11-24-22(13-18)31-27(35-24)20-7-9-21(10-8-20)30-26(33)15-34-25-12-6-19(4-2)14-23(25)32-16-28-29-17-32/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,33)
InChIKeyXEYKFXNIFCVSER-UHFFFAOYSA-N
XLogP5.22
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 117606729
N-[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 709605
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 1017696
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1017703
2-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1017704
2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide
CID 1094286
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 1306434
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 2954481
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3677189
4-(1,3-benzoxazol-2-yl)-3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]aniline
CID 44158368
5-[4-Amino-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 127046076
5-[4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 156016349

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 46366684) is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c(-n2cnnc2)c1.
What is the InChIKey of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is XEYKFXNIFCVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-3-18-5-11-24-22(13-18)31-27(35-24)20-7-9-21(10-8-20)30-26(33)15-34-25-12-6-19(4-2)14-23(25)32-16-28-29-17-32/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,33).
What are the key properties of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 467.53 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 46366684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).