2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

C25H25FN4O3 — CID 10182266

IUPAC2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCCN(CC)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C25H25FN4O3/c1-3-29(4-2)16-17-30-23(22(24(31)33-30)18-10-12-19(26)13-11-18)21-14-15-27-25(28-21)32-20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3
InChIKeyHYUZOJGXATXMTI-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.84
Rot. Bonds9

About 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (PubChem CID 10182266) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
PubChem CID10182266
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCCN(CC)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C25H25FN4O3/c1-3-29(4-2)16-17-30-23(22(24(31)33-30)18-10-12-19(26)13-11-18)21-14-15-27-25(28-21)32-20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3
InChIKeyHYUZOJGXATXMTI-UHFFFAOYSA-N
XLogP4.84
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (CID 10182266) is 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is CCN(CC)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The InChIKey is HYUZOJGXATXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-3-29(4-2)16-17-30-23(22(24(31)33-30)18-10-12-19(26)13-11-18)21-14-15-27-25(28-21)32-20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one has a molecular weight of 448.50 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is sourced from PubChem (CID 10182266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).