2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one

C24H23FN4O3 — CID 22349921

IUPAC2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one
SMILESCCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C24H23FN4O3/c1-3-28(19-8-6-5-7-9-19)24-26-15-14-20(27-24)22-21(17-10-12-18(25)13-11-17)23(30)32-29(22)16-31-4-2/h5-15H,3-4,16H2,1-2H3
InChIKeyMPUUCMAWXNDRTO-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.86
Rot. Bonds8

About 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one

2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one (PubChem CID 22349921) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one
PubChem CID22349921
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one
SMILESCCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C24H23FN4O3/c1-3-28(19-8-6-5-7-9-19)24-26-15-14-20(27-24)22-21(17-10-12-18(25)13-11-17)23(30)32-29(22)16-31-4-2/h5-15H,3-4,16H2,1-2H3
InChIKeyMPUUCMAWXNDRTO-UHFFFAOYSA-N
XLogP4.86
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one?
The IUPAC name of 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one (CID 22349921) is 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one?
The canonical SMILES for 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one is CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(N(CC)c2ccccc2)n1.
What is the InChIKey of 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one?
The InChIKey is MPUUCMAWXNDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-3-28(19-8-6-5-7-9-19)24-26-15-14-20(27-24)22-21(17-10-12-18(25)13-11-17)23(30)32-29(22)16-31-4-2/h5-15H,3-4,16H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one?
2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one has a molecular weight of 434.47 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-[2-(N-ethylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 22349921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).