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

C11H12BrNO — CID 12853043

IUPAC2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(Br)c2)=N1
InChIInChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3
InChIKeyXVNJBDKWBSRNOE-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.00
Rot. Bonds1

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

2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 12853043) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID12853043
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(Br)c2)=N1
InChIInChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3
InChIKeyXVNJBDKWBSRNOE-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2-(2-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 289296
2-(3-Bromophenyl)-4,5-dihydro-1,3-oxazole
CID 11160469
2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 403395
2-(4-Bromophenyl)-4,5-dihydro-1,3-oxazole
CID 793775
Oxazole, 4,5-dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-
CID 6447773
(4S)-2-(4-bromophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756866
2-[12-Bromotricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 1045412
Methyl p-bromobenziminate
CID 11127617
4,4-dimethyl-2-(4-methylphenyl)-5H-1,3-oxazole
CID 3694980

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 12853043) is 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(Br)c2)=N1.
What is the InChIKey of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XVNJBDKWBSRNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 254.13 g/mol, XLogP of 3.00, 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 is sourced from PubChem (CID 12853043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).