5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole

C8H6BrNO2 — CID 96602192

IUPAC5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
SMILESBrc1cc2nc(C3CC3)oc2o1
InChIInChI=1S/C8H6BrNO2/c9-6-3-5-8(11-6)12-7(10-5)4-1-2-4/h3-4H,1-2H2
InChIKeyPDNUVLOPSVVPQT-UHFFFAOYSA-N
MW228.04 g/mol
LogP3.06
Rot. Bonds1

About 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole

5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole (PubChem CID 96602192) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole.

Molecular Properties

Compound Name5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
PubChem CID96602192
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
SMILESBrc1cc2nc(C3CC3)oc2o1
InChIInChI=1S/C8H6BrNO2/c9-6-3-5-8(11-6)12-7(10-5)4-1-2-4/h3-4H,1-2H2
InChIKeyPDNUVLOPSVVPQT-UHFFFAOYSA-N
XLogP3.06
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
CID 82230661
2-cyclopropyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
CID 82230733
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one
CID 118617899
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
2-cyclopropyl-5-ethynyl-6-fluoro-1,3-benzoxazole
CID 166973320
2-cyclopropyl-4-propan-2-yl-1,3-oxazol-5-amine
CID 82414117
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
CID 117306724

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole?
The IUPAC name of 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole (CID 96602192) is 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole.
What is the SMILES notation for 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole?
The canonical SMILES for 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole is Brc1cc2nc(C3CC3)oc2o1.
What is the InChIKey of 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole?
The InChIKey is PDNUVLOPSVVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-6-3-5-8(11-6)12-7(10-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole?
5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole has a molecular weight of 228.04 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole is sourced from PubChem (CID 96602192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).