2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C28H28N2O4 — CID 17092663

IUPAC2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)c1
InChIInChI=1S/C28H28N2O4/c1-32-24-9-5-8-21(16-24)28-30-25-17-22(12-15-26(25)34-28)29-27(31)18-33-23-13-10-20(11-14-23)19-6-3-2-4-7-19/h5,8-17,19H,2-4,6-7,18H2,1H3,(H,29,31)
InChIKeyGMMIIFMVUYJINC-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.57
Rot. Bonds7

About 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 17092663) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID17092663
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)c1
InChIInChI=1S/C28H28N2O4/c1-32-24-9-5-8-21(16-24)28-30-25-17-22(12-15-26(25)34-28)29-27(31)18-33-23-13-10-20(11-14-23)19-6-3-2-4-7-19/h5,8-17,19H,2-4,6-7,18H2,1H3,(H,29,31)
InChIKeyGMMIIFMVUYJINC-UHFFFAOYSA-N
XLogP6.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17110910
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
CID 21211486
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 17092663) is 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)c1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is GMMIIFMVUYJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-32-24-9-5-8-21(16-24)28-30-25-17-22(12-15-26(25)34-28)29-27(31)18-33-23-13-10-20(11-14-23)19-6-3-2-4-7-19/h5,8-17,19H,2-4,6-7,18H2,1H3,(H,29,31).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 17092663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).