3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide

C19H14BrClF2N2O4 — CID 90152215

IUPAC3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide
SMILESCOCC(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1
InChIInChI=1S/C19H14BrClF2N2O4/c1-27-8-13(28-12-7-6-11(22)14(15(12)23)18(24)26)19-25-16(17(20)29-19)9-2-4-10(21)5-3-9/h2-7,13H,8H2,1H3,(H2,24,26)
InChIKeyZIZJKXAKBXZWRF-UHFFFAOYSA-N
MW487.68 g/mol
LogP4.90
Rot. Bonds7

About 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide

3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide (PubChem CID 90152215) has the molecular formula C19H14BrClF2N2O4 and a molecular weight of 487.68 g/mol. Its IUPAC name is 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide
PubChem CID90152215
Molecular FormulaC19H14BrClF2N2O4
Molecular Weight487.68 g/mol
Exact Mass485.98
IUPAC Name3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide
SMILESCOCC(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1
InChIInChI=1S/C19H14BrClF2N2O4/c1-27-8-13(28-12-7-6-11(22)14(15(12)23)18(24)26)19-25-16(17(20)29-19)9-2-4-10(21)5-3-9/h2-7,13H,8H2,1H3,(H2,24,26)
InChIKeyZIZJKXAKBXZWRF-UHFFFAOYSA-N
XLogP4.90
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.68
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide (CID 90152215) is 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide is COCC(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1.
What is the InChIKey of 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide?
The InChIKey is ZIZJKXAKBXZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClF2N2O4/c1-27-8-13(28-12-7-6-11(22)14(15(12)23)18(24)26)19-25-16(17(20)29-19)9-2-4-10(21)5-3-9/h2-7,13H,8H2,1H3,(H2,24,26).
What are the key properties of 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide?
3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide has a molecular weight of 487.68 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 90152215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).