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

C10H12BrNO2 — CID 640339

IUPAC2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-7(11)4-8(14-6)9-12-10(2,3)5-13-9/h4H,5H2,1-3H3
InChIKeyDCRLWYMZEUAZGF-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.91
Rot. Bonds1

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

2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 640339) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID640339
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-7(11)4-8(14-6)9-12-10(2,3)5-13-9/h4H,5H2,1-3H3
InChIKeyDCRLWYMZEUAZGF-UHFFFAOYSA-N
XLogP2.91
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
CID 14931720
2-(5-Bromofuran-2-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 54551428
Oxazole, 2-(2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 3849090
Oxazole, 2-(4,5-dimethyl-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 640340
2-(4-Tert-butyl-5-methyl-2-furyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 640342
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
4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole
CID 14973105
Zzyzvhuivizqcw-uhfffaoysa-
CID 14973107
2-(4,5-Dibromo-2-furanyl)-4,4-dimethyloxazoline
CID 14403244
2-[5-(4,5-Dihydro-1,3-oxazol-2-yl)furan-2-yl]-4,5-dihydro-1,3-oxazole
CID 50900120
2-(5-Methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
CID 57022436

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 640339) is 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is Cc1oc(C2=NC(C)(C)CO2)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DCRLWYMZEUAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-7(11)4-8(14-6)9-12-10(2,3)5-13-9/h4H,5H2,1-3H3.
What are the key properties of 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 258.11 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 640339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).