4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine

C13H15BrN2O4S — CID 58125995

IUPAC4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc([C@@H]2CC(Br)=NO2)cc1)N1CCOCC1
InChIInChI=1S/C13H15BrN2O4S/c14-13-9-12(20-15-13)10-1-3-11(4-2-10)21(17,18)16-5-7-19-8-6-16/h1-4,12H,5-9H2/t12-/m0/s1
InChIKeyIZQRUUNZAKMXLX-LBPRGKRZSA-N
MW375.24 g/mol
LogP1.88
Rot. Bonds3

About 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine

4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine (PubChem CID 58125995) has the molecular formula C13H15BrN2O4S and a molecular weight of 375.24 g/mol. Its IUPAC name is 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine
PubChem CID58125995
Molecular FormulaC13H15BrN2O4S
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc([C@@H]2CC(Br)=NO2)cc1)N1CCOCC1
InChIInChI=1S/C13H15BrN2O4S/c14-13-9-12(20-15-13)10-1-3-11(4-2-10)21(17,18)16-5-7-19-8-6-16/h1-4,12H,5-9H2/t12-/m0/s1
InChIKeyIZQRUUNZAKMXLX-LBPRGKRZSA-N
XLogP1.88
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine
CID 58126185
(5R)-3-bromo-5-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
CID 58126130
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 51966024
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55864762
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine (CID 58125995) is 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc([C@@H]2CC(Br)=NO2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine?
The InChIKey is IZQRUUNZAKMXLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15BrN2O4S/c14-13-9-12(20-15-13)10-1-3-11(4-2-10)21(17,18)16-5-7-19-8-6-16/h1-4,12H,5-9H2/t12-/m0/s1.
What are the key properties of 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine?
4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine has a molecular weight of 375.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 58125995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).