(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium

C18H17BrFN2O+ — CID 8539583

IUPAC(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Br)cc1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H16BrFN2O/c1-22(11-13-2-6-15(19)7-3-13)12-18-21-10-17(23-18)14-4-8-16(20)9-5-14/h2-10H,11-12H2,1H3/p+1
InChIKeyBEKNQKWZUJIYDP-UHFFFAOYSA-O
MW376.25 g/mol
LogP3.46
Rot. Bonds5

About (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium

(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium (PubChem CID 8539583) has the molecular formula C18H17BrFN2O+ and a molecular weight of 376.25 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
PubChem CID8539583
Molecular FormulaC18H17BrFN2O+
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Br)cc1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H16BrFN2O/c1-22(11-13-2-6-15(19)7-3-13)12-18-21-10-17(23-18)14-4-8-16(20)9-5-14/h2-10H,11-12H2,1H3/p+1
InChIKeyBEKNQKWZUJIYDP-UHFFFAOYSA-O
XLogP3.46
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium (CID 8539583) is (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium is C[NH+](Cc1ccc(Br)cc1)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The InChIKey is BEKNQKWZUJIYDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16BrFN2O/c1-22(11-13-2-6-15(19)7-3-13)12-18-21-10-17(23-18)14-4-8-16(20)9-5-14/h2-10H,11-12H2,1H3/p+1.
What are the key properties of (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium has a molecular weight of 376.25 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium is sourced from PubChem (CID 8539583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).