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

C25H23FN2O3 — CID 23960858

IUPAC2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1
InChIInChI=1S/C25H23FN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyOCQFPQPVUYBPHD-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.95
Rot. Bonds5

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

2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 23960858) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID23960858
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1
InChIInChI=1S/C25H23FN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyOCQFPQPVUYBPHD-UHFFFAOYSA-N
XLogP5.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3421834
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]but-3-enamide
CID 4714601
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide (CID 23960858) is 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is OCQFPQPVUYBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 5.95, 5 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-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 23960858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).