2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C12H12BrClN2O — CID 65183441

IUPAC2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C12H12BrClN2O/c1-15-5-4-12-16-7-11(17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyUAQRZPGOADEBLX-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.52
Rot. Bonds4

About 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65183441) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65183441
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C12H12BrClN2O/c1-15-5-4-12-16-7-11(17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyUAQRZPGOADEBLX-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65183441) is 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2cc(Br)ccc2Cl)o1.
What is the InChIKey of 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is UAQRZPGOADEBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-15-5-4-12-16-7-11(17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 315.60 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65183441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).