3-(4-bromophenyl)-1,3-oxazolidine

C9H10BrNO — CID 150695273

IUPAC3-(4-bromophenyl)-1,3-oxazolidine
SMILESBrc1ccc(N2CCOC2)cc1
InChIInChI=1S/C9H10BrNO/c10-8-1-3-9(4-2-8)11-5-6-12-7-11/h1-4H,5-7H2
InChIKeyJKSHRWLLGUHCQJ-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.24
Rot. Bonds1

About 3-(4-bromophenyl)-1,3-oxazolidine

3-(4-bromophenyl)-1,3-oxazolidine (PubChem CID 150695273) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,3-oxazolidine
PubChem CID150695273
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name3-(4-bromophenyl)-1,3-oxazolidine
SMILESBrc1ccc(N2CCOC2)cc1
InChIInChI=1S/C9H10BrNO/c10-8-1-3-9(4-2-8)11-5-6-12-7-11/h1-4H,5-7H2
InChIKeyJKSHRWLLGUHCQJ-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1,3-oxazolidine
CID 519787
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol
CID 91475481
4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane
CID 159764103
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
(9aS)-8-(4-bromophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 170554889
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
3-(6-methylnaphthalen-2-yl)-1,3-oxazolidine
CID 143579821
4-(1,3-oxazepan-3-yl)phenol
CID 175084145
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,3-oxazolidine?
The IUPAC name of 3-(4-bromophenyl)-1,3-oxazolidine (CID 150695273) is 3-(4-bromophenyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(4-bromophenyl)-1,3-oxazolidine?
The canonical SMILES for 3-(4-bromophenyl)-1,3-oxazolidine is Brc1ccc(N2CCOC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1,3-oxazolidine?
The InChIKey is JKSHRWLLGUHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-1-3-9(4-2-8)11-5-6-12-7-11/h1-4H,5-7H2.
What are the key properties of 3-(4-bromophenyl)-1,3-oxazolidine?
3-(4-bromophenyl)-1,3-oxazolidine has a molecular weight of 228.09 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,3-oxazolidine is sourced from PubChem (CID 150695273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).