4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine

C20H17FN4O — CID 123175172

IUPAC4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1cccc(C2(c3ccc(F)c(-c4cncnc4)c3)COC(N)=N2)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-2-4-15(7-13)20(11-26-19(22)25-20)16-5-6-18(21)17(8-16)14-9-23-12-24-10-14/h2-10,12H,11H2,1H3,(H2,22,25)
InChIKeyUAWTZDQNBLTKDH-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.18
Rot. Bonds3

About 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine

4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 123175172) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID123175172
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1cccc(C2(c3ccc(F)c(-c4cncnc4)c3)COC(N)=N2)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-2-4-15(7-13)20(11-26-19(22)25-20)16-5-6-18(21)17(8-16)14-9-23-12-24-10-14/h2-10,12H,11H2,1H3,(H2,22,25)
InChIKeyUAWTZDQNBLTKDH-UHFFFAOYSA-N
XLogP3.18
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine (CID 123175172) is 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine is Cc1cccc(C2(c3ccc(F)c(-c4cncnc4)c3)COC(N)=N2)c1.
What is the InChIKey of 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is UAWTZDQNBLTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-3-2-4-15(7-13)20(11-26-19(22)25-20)16-5-6-18(21)17(8-16)14-9-23-12-24-10-14/h2-10,12H,11H2,1H3,(H2,22,25).
What are the key properties of 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 348.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 123175172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).