3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

C7H12BrNO — CID 105458315

IUPAC3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1CC(Br)=NO1
InChIInChI=1S/C7H12BrNO/c1-5(2)3-6-4-7(8)9-10-6/h5-6H,3-4H2,1-2H3
InChIKeyRRHYOASOZHJJFO-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.53
Rot. Bonds2

About 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 105458315) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID105458315
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1CC(Br)=NO1
InChIInChI=1S/C7H12BrNO/c1-5(2)3-6-4-7(8)9-10-6/h5-6H,3-4H2,1-2H3
InChIKeyRRHYOASOZHJJFO-UHFFFAOYSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-tert-butyl-4,5-dihydroisoxazole
CID 14640013
3-Bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 105445620
3-Bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole;ethane
CID 162749116
(5R)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 163393535
(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 163393570
3-Bromo-4-butyl-4,5-dihydro-1,2-oxazole
CID 21763356
(5S)-3-bromo-5-tert-butyl-4,5-dihydro-1,2-oxazole
CID 37819239
(5R)-3-bromo-5-tert-butyl-4,5-dihydro-1,2-oxazole
CID 37819243
3-Bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole
CID 105443990
3-Bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole
CID 105455889

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (CID 105458315) is 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is CC(C)CC1CC(Br)=NO1.
What is the InChIKey of 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is RRHYOASOZHJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-5(2)3-6-4-7(8)9-10-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 206.08 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 105458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).