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

C9H10BrNO2 — CID 54551428

IUPAC2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)o2)=N1
InChIInChI=1S/C9H10BrNO2/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4H,5H2,1-2H3
InChIKeyZKEASIZDEJXFMR-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.60
Rot. Bonds1

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

2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 54551428) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID54551428
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)o2)=N1
InChIInChI=1S/C9H10BrNO2/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4H,5H2,1-2H3
InChIKeyZKEASIZDEJXFMR-UHFFFAOYSA-N
XLogP2.60
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Furyl)-2-oxazoline
CID 11332502
2-(5-Bromo(2-furyl))-4-(2-furylmethylene)-1,3-oxazolin-5-one
CID 5409061
4,4-Dimethyl-2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
CID 14931720
Oxazole, 2-(2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 3849090
2-(furan-2-yl)-5-methylidene-4H-1,3-oxazole
CID 102047153
2-(Furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole
CID 134860463
methyl N-(2-methylpropyl)furan-2-carboximidate
CID 134907469
(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
CID 135045167
Oxazole, 2-(4-bromo-5-methyl-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 640339
Oxazole, 2-(4,5-dimethyl-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 640340
2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10352590
[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)furan-2-yl]-trimethylsilane
CID 10354163

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 54551428) is 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Br)o2)=N1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZKEASIZDEJXFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 244.09 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 54551428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).