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

C27H28N2O3 — CID 2721118

IUPAC2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1
InChIInChI=1S/C27H28N2O3/c1-5-18-6-15-24-23(16-18)29-26(32-24)19-7-11-21(12-8-19)28-25(30)17-31-22-13-9-20(10-14-22)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,28,30)
InChIKeyKOKXBKLRFQJTLH-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.37
Rot. Bonds6

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

2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 2721118) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID2721118
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1
InChIInChI=1S/C27H28N2O3/c1-5-18-6-15-24-23(16-18)29-26(32-24)19-7-11-21(12-8-19)28-25(30)17-31-22-13-9-20(10-14-22)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,28,30)
InChIKeyKOKXBKLRFQJTLH-UHFFFAOYSA-N
XLogP6.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
CID 21211486
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1362782
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 2721118) is 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is KOKXBKLRFQJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-5-18-6-15-24-23(16-18)29-26(32-24)19-7-11-21(12-8-19)28-25(30)17-31-22-13-9-20(10-14-22)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,28,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2721118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).