3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C18H15BrN2O3 — CID 1224550

IUPAC3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1
InChIInChI=1S/C18H15BrN2O3/c1-12-9-17(21-24-12)20-18(22)14-4-2-3-13(10-14)11-23-16-7-5-15(19)6-8-16/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyYPKUSSVTPLQXIX-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.58
Rot. Bonds5

About 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 1224550) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID1224550
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1
InChIInChI=1S/C18H15BrN2O3/c1-12-9-17(21-24-12)20-18(22)14-4-2-3-13(10-14)11-23-16-7-5-15(19)6-8-16/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyYPKUSSVTPLQXIX-UHFFFAOYSA-N
XLogP4.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 1224550) is 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is YPKUSSVTPLQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-12-9-17(21-24-12)20-18(22)14-4-2-3-13(10-14)11-23-16-7-5-15(19)6-8-16/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 387.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 1224550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).