2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride

C11H13BrClNO — CID 134122539

IUPAC2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
SMILESCC1(C)COC(c2cccc(Br)c2)=N1.Cl
InChIInChI=1S/C11H12BrNO.ClH/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8;/h3-6H,7H2,1-2H3;1H
InChIKeyPBZAVXQRYFWRQY-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.43
Rot. Bonds1

About 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride

2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (PubChem CID 134122539) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
PubChem CID134122539
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
SMILESCC1(C)COC(c2cccc(Br)c2)=N1.Cl
InChIInChI=1S/C11H12BrNO.ClH/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8;/h3-6H,7H2,1-2H3;1H
InChIKeyPBZAVXQRYFWRQY-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (CID 134122539) is 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is CC1(C)COC(c2cccc(Br)c2)=N1.Cl.
What is the InChIKey of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The InChIKey is PBZAVXQRYFWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO.ClH/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8;/h3-6H,7H2,1-2H3;1H.
What are the key properties of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride has a molecular weight of 290.59 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is sourced from PubChem (CID 134122539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).