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

C6H10BrNO — CID 101459148

IUPAC(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(Br)=N1
InChIInChI=1S/C6H10BrNO/c1-4(2)5-3-9-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyYVLPORJEEUBOOA-RXMQYKEDSA-N
MW192.06 g/mol
LogP1.79
Rot. Bonds1

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

(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 101459148) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID101459148
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(Br)=N1
InChIInChI=1S/C6H10BrNO/c1-4(2)5-3-9-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyYVLPORJEEUBOOA-RXMQYKEDSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 101459148) is (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(Br)=N1.
What is the InChIKey of (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YVLPORJEEUBOOA-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-4(2)5-3-9-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 192.06 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101459148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).