4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane

C24H26FN3O2 — CID 143850368

IUPAC4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
SMILESCCC.COc1ccc(C2(c3cccc(-c4ccc(F)nc4)c3)COC(N)=N2)cc1
InChIInChI=1S/C21H18FN3O2.C3H8/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15;1-3-2/h2-12H,13H2,1H3,(H2,23,25);3H2,1-2H3
InChIKeyCMTMDJYUYNWISB-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.90
Rot. Bonds4

About 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane

4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane (PubChem CID 143850368) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane.

Molecular Properties

Compound Name4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
PubChem CID143850368
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
SMILESCCC.COc1ccc(C2(c3cccc(-c4ccc(F)nc4)c3)COC(N)=N2)cc1
InChIInChI=1S/C21H18FN3O2.C3H8/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15;1-3-2/h2-12H,13H2,1H3,(H2,23,25);3H2,1-2H3
InChIKeyCMTMDJYUYNWISB-UHFFFAOYSA-N
XLogP4.90
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane?
The IUPAC name of 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane (CID 143850368) is 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane.
What is the SMILES notation for 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane?
The canonical SMILES for 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane is CCC.COc1ccc(C2(c3cccc(-c4ccc(F)nc4)c3)COC(N)=N2)cc1.
What is the InChIKey of 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane?
The InChIKey is CMTMDJYUYNWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2.C3H8/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15;1-3-2/h2-12H,13H2,1H3,(H2,23,25);3H2,1-2H3.
What are the key properties of 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane?
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane has a molecular weight of 407.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane is sourced from PubChem (CID 143850368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).