[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate

C18H15FN2O3 — CID 141419069

IUPAC[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate
SMILESO=COCc1cc(-c2ccc(NCc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H15FN2O3/c19-15-3-1-2-13(8-15)10-20-16-6-4-14(5-7-16)18-9-17(24-21-18)11-23-12-22/h1-9,12,20H,10-11H2
InChIKeyCKLXXWUSNPQLBX-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.77
Rot. Bonds7

About [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate

[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate (PubChem CID 141419069) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate.

Molecular Properties

Compound Name[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate
PubChem CID141419069
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate
SMILESO=COCc1cc(-c2ccc(NCc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H15FN2O3/c19-15-3-1-2-13(8-15)10-20-16-6-4-14(5-7-16)18-9-17(24-21-18)11-23-12-22/h1-9,12,20H,10-11H2
InChIKeyCKLXXWUSNPQLBX-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate?
The IUPAC name of [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate (CID 141419069) is [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate.
What is the SMILES notation for [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate?
The canonical SMILES for [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate is O=COCc1cc(-c2ccc(NCc3cccc(F)c3)cc2)no1.
What is the InChIKey of [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate?
The InChIKey is CKLXXWUSNPQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-15-3-1-2-13(8-15)10-20-16-6-4-14(5-7-16)18-9-17(24-21-18)11-23-12-22/h1-9,12,20H,10-11H2.
What are the key properties of [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate?
[3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate has a molecular weight of 326.33 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl formate is sourced from PubChem (CID 141419069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).