2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C26H23FN2O3 — CID 100505588

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C26H23FN2O3/c1-3-31-21-14-10-19(11-15-21)24-16-28-26(32-24)23-7-5-4-6-22(23)25(30)29-17(2)18-8-12-20(27)13-9-18/h4-17H,3H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKeyYYUFEYLFJCFWTR-KRWDZBQOSA-N
MW430.48 g/mol
LogP6.04
Rot. Bonds7

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 100505588) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID100505588
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C26H23FN2O3/c1-3-31-21-14-10-19(11-15-21)24-16-28-26(32-24)23-7-5-4-6-22(23)25(30)29-17(2)18-8-12-20(27)13-9-18/h4-17H,3H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKeyYYUFEYLFJCFWTR-KRWDZBQOSA-N
XLogP6.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 100505588) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is YYUFEYLFJCFWTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-3-31-21-14-10-19(11-15-21)24-16-28-26(32-24)23-7-5-4-6-22(23)25(30)29-17(2)18-8-12-20(27)13-9-18/h4-17H,3H2,1-2H3,(H,29,30)/t17-/m0/s1.
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 100505588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).