(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole

C6H10BrNO — CID 163393570

IUPAC(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)[C@@H]1CC(Br)=NO1
InChIInChI=1S/C6H10BrNO/c1-4(2)5-3-6(7)8-9-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyLFEZXTCFPKQNMP-YFKPBYRVSA-N
MW192.06 g/mol
LogP2.14
Rot. Bonds1

About (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole

(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 163393570) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID163393570
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)[C@@H]1CC(Br)=NO1
InChIInChI=1S/C6H10BrNO/c1-4(2)5-3-6(7)8-9-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyLFEZXTCFPKQNMP-YFKPBYRVSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 163393570) is (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)[C@@H]1CC(Br)=NO1.
What is the InChIKey of (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is LFEZXTCFPKQNMP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-4(2)5-3-6(7)8-9-5/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 192.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 163393570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).