1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone

C23H14FN3O3 — CID 134689580

IUPAC1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C23H14FN3O3/c24-16-7-4-14(5-8-16)23-26-19(13-29-23)22-18-11-15(6-9-21(18)30-27-22)20(28)12-17-3-1-2-10-25-17/h1-11,13H,12H2
InChIKeyWMBTWMKGLJKDCA-UHFFFAOYSA-N
MW399.38 g/mol
LogP5.11
Rot. Bonds5

About 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone

1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone (PubChem CID 134689580) has the molecular formula C23H14FN3O3 and a molecular weight of 399.38 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone
PubChem CID134689580
Molecular FormulaC23H14FN3O3
Molecular Weight399.38 g/mol
Exact Mass399.10
IUPAC Name1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C23H14FN3O3/c24-16-7-4-14(5-8-16)23-26-19(13-29-23)22-18-11-15(6-9-21(18)30-27-22)20(28)12-17-3-1-2-10-25-17/h1-11,13H,12H2
InChIKeyWMBTWMKGLJKDCA-UHFFFAOYSA-N
XLogP5.11
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone (CID 134689580) is 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is WMBTWMKGLJKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O3/c24-16-7-4-14(5-8-16)23-26-19(13-29-23)22-18-11-15(6-9-21(18)30-27-22)20(28)12-17-3-1-2-10-25-17/h1-11,13H,12H2.
What are the key properties of 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone?
1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 399.38 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).