2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole

C8H10BrNO2 — CID 115038641

IUPAC2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole
SMILESCC1(c2cnc(Br)o2)CCCO1
InChIInChI=1S/C8H10BrNO2/c1-8(3-2-4-11-8)6-5-10-7(9)12-6/h5H,2-4H2,1H3
InChIKeyOPEISWYBALWZLV-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.46
Rot. Bonds1

About 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole

2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole (PubChem CID 115038641) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole
PubChem CID115038641
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole
SMILESCC1(c2cnc(Br)o2)CCCO1
InChIInChI=1S/C8H10BrNO2/c1-8(3-2-4-11-8)6-5-10-7(9)12-6/h5H,2-4H2,1H3
InChIKeyOPEISWYBALWZLV-UHFFFAOYSA-N
XLogP2.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methyloxolan-2-yl)-1,3-oxazol-2-amine
CID 115013415
2-bromo-5-(2-methyloxan-2-yl)-1,3-thiazole
CID 115048963
3-bromo-5-(2-methyloxolan-2-yl)-1H-1,2,4-triazole
CID 115038651
3-bromo-5-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943329
3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
CID 115034900
2-(4-chlorophenyl)-2-methyloxolane
CID 56963782
2-cyclopenta-1,3-dien-1-yl-2-methyloxolane
CID 13307757
5-methoxy-1-methyl-3-(2-methyloxolan-2-yl)indole
CID 101448637
5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine
CID 115015921
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823
[6-chloro-4-(2-methyloxolan-2-yl)-3-pyridinyl]carbamic acid
CID 118064164
5-(1-methylcyclopentyl)-1,3-oxazol-2-amine
CID 115013183

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole (CID 115038641) is 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole is CC1(c2cnc(Br)o2)CCCO1.
What is the InChIKey of 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole?
The InChIKey is OPEISWYBALWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-8(3-2-4-11-8)6-5-10-7(9)12-6/h5H,2-4H2,1H3.
What are the key properties of 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole?
2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole has a molecular weight of 232.08 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methyloxolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 115038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).