3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide

C19H15BrF2N2O4 — CID 66574936

IUPAC3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide
SMILESCOc1ccc(-c2nc([C@H](C)Oc3ccc(F)c(C(N)=O)c3F)oc2Br)cc1
InChIInChI=1S/C19H15BrF2N2O4/c1-9(27-13-8-7-12(21)14(15(13)22)18(23)25)19-24-16(17(20)28-19)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H2,23,25)/t9-/m0/s1
InChIKeyQTCXEJTWWFWZOH-VIFPVBQESA-N
MW453.24 g/mol
LogP4.63
Rot. Bonds6

About 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide

3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide (PubChem CID 66574936) has the molecular formula C19H15BrF2N2O4 and a molecular weight of 453.24 g/mol. Its IUPAC name is 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide
PubChem CID66574936
Molecular FormulaC19H15BrF2N2O4
Molecular Weight453.24 g/mol
Exact Mass452.02
IUPAC Name3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide
SMILESCOc1ccc(-c2nc([C@H](C)Oc3ccc(F)c(C(N)=O)c3F)oc2Br)cc1
InChIInChI=1S/C19H15BrF2N2O4/c1-9(27-13-8-7-12(21)14(15(13)22)18(23)25)19-24-16(17(20)28-19)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H2,23,25)/t9-/m0/s1
InChIKeyQTCXEJTWWFWZOH-VIFPVBQESA-N
XLogP4.63
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide (CID 66574936) is 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide is COc1ccc(-c2nc([C@H](C)Oc3ccc(F)c(C(N)=O)c3F)oc2Br)cc1.
What is the InChIKey of 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide?
The InChIKey is QTCXEJTWWFWZOH-VIFPVBQESA-N. The full InChI is InChI=1S/C19H15BrF2N2O4/c1-9(27-13-8-7-12(21)14(15(13)22)18(23)25)19-24-16(17(20)28-19)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H2,23,25)/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide?
3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide has a molecular weight of 453.24 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[5-bromo-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 66574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).