4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline

C20H21FN2O2 — CID 18473907

IUPAC4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline
SMILESCC(C)c1oc(-c2ccc(F)cc2)nc1CCOc1ccc(N)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)19-18(11-12-24-17-9-7-16(22)8-10-17)23-20(25-19)14-3-5-15(21)6-4-14/h3-10,13H,11-12,22H2,1-2H3
InChIKeyOUWXCNCDFXVRAK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.81
Rot. Bonds6

About 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline

4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline (PubChem CID 18473907) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline
PubChem CID18473907
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline
SMILESCC(C)c1oc(-c2ccc(F)cc2)nc1CCOc1ccc(N)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)19-18(11-12-24-17-9-7-16(22)8-10-17)23-20(25-19)14-3-5-15(21)6-4-14/h3-10,13H,11-12,22H2,1-2H3
InChIKeyOUWXCNCDFXVRAK-UHFFFAOYSA-N
XLogP4.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline?
The IUPAC name of 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline (CID 18473907) is 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline.
What is the SMILES notation for 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline?
The canonical SMILES for 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline is CC(C)c1oc(-c2ccc(F)cc2)nc1CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline?
The InChIKey is OUWXCNCDFXVRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13(2)19-18(11-12-24-17-9-7-16(22)8-10-17)23-20(25-19)14-3-5-15(21)6-4-14/h3-10,13H,11-12,22H2,1-2H3.
What are the key properties of 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline?
4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline has a molecular weight of 340.40 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethoxy]aniline is sourced from PubChem (CID 18473907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).