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

C13H16BrN3O2 — CID 141220264

IUPAC2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESBrc1ccc(C2=NOC(CC3CNCCO3)C2)nc1
InChIInChI=1S/C13H16BrN3O2/c14-9-1-2-12(16-7-9)13-6-10(19-17-13)5-11-8-15-3-4-18-11/h1-2,7,10-11,15H,3-6,8H2
InChIKeyVRMSTZBWLWGYND-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.72
Rot. Bonds3

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

2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (PubChem CID 141220264) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
PubChem CID141220264
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESBrc1ccc(C2=NOC(CC3CNCCO3)C2)nc1
InChIInChI=1S/C13H16BrN3O2/c14-9-1-2-12(16-7-9)13-6-10(19-17-13)5-11-8-15-3-4-18-11/h1-2,7,10-11,15H,3-6,8H2
InChIKeyVRMSTZBWLWGYND-UHFFFAOYSA-N
XLogP1.72
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine with MolForge

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Related Compounds

(5R)-3-(5-bromo-2-pyridinyl)-5-(chloromethyl)-4,5-dihydro-1,2-oxazole;[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 68945587
(5S)-3-(5-bromo-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 59684506
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819
tert-butyl 2-[2-[[(5S)-3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]ethyl-methylamino]acetate
CID 58965114
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990670
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
3-(5-bromo-2-pyridinyl)-5-methyl-4,5-dihydro-1,2-oxazole;4-ethyl-1,4-oxazepane
CID 143143110

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (CID 141220264) is 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is Brc1ccc(C2=NOC(CC3CNCCO3)C2)nc1.
What is the InChIKey of 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The InChIKey is VRMSTZBWLWGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-9-1-2-12(16-7-9)13-6-10(19-17-13)5-11-8-15-3-4-18-11/h1-2,7,10-11,15H,3-6,8H2.
What are the key properties of 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine has a molecular weight of 326.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is sourced from PubChem (CID 141220264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).