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

C23H19FN2O3 — CID 1267583

IUPAC2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1
InChIInChI=1S/C23H19FN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeySUXRCEWVDKXHHC-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.21
Rot. Bonds6

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

2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 1267583) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID1267583
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1
InChIInChI=1S/C23H19FN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeySUXRCEWVDKXHHC-UHFFFAOYSA-N
XLogP5.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide (CID 1267583) is 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide is CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is SUXRCEWVDKXHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 390.41 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 1267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).