[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone

C20H14FN3O4 — CID 97361849

IUPAC[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCCO1
InChIInChI=1S/C20H14FN3O4/c21-14-5-2-12(3-6-14)19-22-16(11-26-19)18-15-10-13(4-7-17(15)28-23-18)20(25)24-8-1-9-27-24/h2-7,10-11H,1,8-9H2
InChIKeyQEAKPWNIRZTYNB-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.07
Rot. Bonds3

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

[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97361849) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97361849
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCCO1
InChIInChI=1S/C20H14FN3O4/c21-14-5-2-12(3-6-14)19-22-16(11-26-19)18-15-10-13(4-7-17(15)28-23-18)20(25)24-8-1-9-27-24/h2-7,10-11H,1,8-9H2
InChIKeyQEAKPWNIRZTYNB-UHFFFAOYSA-N
XLogP4.07
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97361849) is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCCO1.
What is the InChIKey of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is QEAKPWNIRZTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-14-5-2-12(3-6-14)19-22-16(11-26-19)18-15-10-13(4-7-17(15)28-23-18)20(25)24-8-1-9-27-24/h2-7,10-11H,1,8-9H2.
What are the key properties of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 379.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97361849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).