3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide

C22H22F2N2O3 — CID 37397863

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccccc1CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C22H22F2N2O3/c1-2-28-14-16-6-4-3-5-15(16)12-25-21(27)9-10-22-26-13-20(29-22)18-8-7-17(23)11-19(18)24/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,25,27)
InChIKeyCRNQBDQFSYFHRK-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.41
Rot. Bonds9

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide (PubChem CID 37397863) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
PubChem CID37397863
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccccc1CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C22H22F2N2O3/c1-2-28-14-16-6-4-3-5-15(16)12-25-21(27)9-10-22-26-13-20(29-22)18-8-7-17(23)11-19(18)24/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,25,27)
InChIKeyCRNQBDQFSYFHRK-UHFFFAOYSA-N
XLogP4.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide (CID 37397863) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide is CCOCc1ccccc1CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is CRNQBDQFSYFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c1-2-28-14-16-6-4-3-5-15(16)12-25-21(27)9-10-22-26-13-20(29-22)18-8-7-17(23)11-19(18)24/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,25,27).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 400.43 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 37397863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).