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

C23H21FN4O3 — CID 10273634

IUPAC2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCN(C)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C23H21FN4O3/c1-27(2)14-15-28-21(20(22(29)31-28)16-8-10-17(24)11-9-16)19-12-13-25-23(26-19)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyWUPCCAKTBUBFSP-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.06
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (PubChem CID 10273634) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
PubChem CID10273634
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCN(C)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C23H21FN4O3/c1-27(2)14-15-28-21(20(22(29)31-28)16-8-10-17(24)11-9-16)19-12-13-25-23(26-19)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyWUPCCAKTBUBFSP-UHFFFAOYSA-N
XLogP4.06
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (CID 10273634) is 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is CN(C)CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The InChIKey is WUPCCAKTBUBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-27(2)14-15-28-21(20(22(29)31-28)16-8-10-17(24)11-9-16)19-12-13-25-23(26-19)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one has a molecular weight of 420.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is sourced from PubChem (CID 10273634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).