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

C9H9Br2NOS — CID 173205844

IUPAC2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(Br)c(Br)s2)=N1
InChIInChI=1S/C9H9Br2NOS/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3
InChIKeyGWCAUOFZKNKIDU-UHFFFAOYSA-N
MW339.05 g/mol
LogP3.83
Rot. Bonds1

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

2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 173205844) has the molecular formula C9H9Br2NOS and a molecular weight of 339.05 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID173205844
Molecular FormulaC9H9Br2NOS
Molecular Weight339.05 g/mol
Exact Mass336.88
IUPAC Name2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(Br)c(Br)s2)=N1
InChIInChI=1S/C9H9Br2NOS/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3
InChIKeyGWCAUOFZKNKIDU-UHFFFAOYSA-N
XLogP3.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole
CID 5008282
2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-thienyl methyl sulfide
CID 614895
2-[3,5-bis(methylsulfanyl)thiophen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 13495739
5-Bromo-thiophene 2-carboximidic acid ethyl ester
CID 58371866
5-Bromothiophene-2-carboximidic acid ethyl ester hydrochloride
CID 69314131
2-(4-bromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 141811072
5-(4,5-Dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 142921903
(4S)-2-(3-bromothiophen-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 24807902
Ethyl 4-bromothiophene-2-carboximidate
CID 60985249
1-[(4-Bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine
CID 64537982
1-[(5-Bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine
CID 64537984
Methyl 4,5-dibromothiophene-2-carboximidate
CID 102843306

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 173205844) is 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cc(Br)c(Br)s2)=N1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GWCAUOFZKNKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NOS/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 339.05 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 173205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).