2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

C22H18FN3O4 — CID 10272768

IUPAC2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C22H18FN3O4/c1-2-28-14-26-20(19(21(27)30-26)15-8-10-16(23)11-9-15)18-12-13-24-22(25-18)29-17-6-4-3-5-7-17/h3-13H,2,14H2,1H3
InChIKeyOGNQPZZBYMJJLW-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.49
Rot. Bonds7

About 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (PubChem CID 10272768) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
PubChem CID10272768
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESCCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C22H18FN3O4/c1-2-28-14-26-20(19(21(27)30-26)15-8-10-16(23)11-9-15)18-12-13-24-22(25-18)29-17-6-4-3-5-7-17/h3-13H,2,14H2,1H3
InChIKeyOGNQPZZBYMJJLW-UHFFFAOYSA-N
XLogP4.49
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The IUPAC name of 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (CID 10272768) is 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The InChIKey is OGNQPZZBYMJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-2-28-14-26-20(19(21(27)30-26)15-8-10-16(23)11-9-15)18-12-13-24-22(25-18)29-17-6-4-3-5-7-17/h3-13H,2,14H2,1H3.
What are the key properties of 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one has a molecular weight of 407.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is sourced from PubChem (CID 10272768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).