4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine

C14H17BrN2O2 — CID 57017588

IUPAC4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESBrc1ccc(C2=CC(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C14H17BrN2O2/c15-12-3-1-11(2-4-12)14-9-13(19-16-14)10-17-5-7-18-8-6-17/h1-4,9,13,16H,5-8,10H2
InChIKeyGLOMHWKRCAUHFK-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.03
Rot. Bonds3

About 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine

4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (PubChem CID 57017588) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
PubChem CID57017588
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESBrc1ccc(C2=CC(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C14H17BrN2O2/c15-12-3-1-11(2-4-12)14-9-13(19-16-14)10-17-5-7-18-8-6-17/h1-4,9,13,16H,5-8,10H2
InChIKeyGLOMHWKRCAUHFK-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 56999532
4-[(4-Bromophenyl)methyl]-2,6-dimethylmorpholine
CID 5332987
4-[1-(4-Bromophenyl)ethenyl]morpholine
CID 11346189
4-[(5E)-5-[(4-bromophenyl)methylidene]cyclopenten-1-yl]morpholine
CID 5855584
N-[(4-bromophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)butan-1-amine
CID 72151609
4-(4-Bromobenzyl)-cis-2,6-dimethylmorpholine
CID 15233125
(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 15233126
(2S,6S)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 28238239
4-(3-Phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine
CID 57066823
4-[(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
CID 57164746
4-[[3-(4-Methylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57183799
6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
CID 57285663

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (CID 57017588) is 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is Brc1ccc(C2=CC(CN3CCOCC3)ON2)cc1.
What is the InChIKey of 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The InChIKey is GLOMHWKRCAUHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-3-1-11(2-4-12)14-9-13(19-16-14)10-17-5-7-18-8-6-17/h1-4,9,13,16H,5-8,10H2.
What are the key properties of 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine has a molecular weight of 325.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is sourced from PubChem (CID 57017588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).