3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde

C13H15N3O3 — CID 87854794

IUPAC3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde
SMILESO=CN1CCOCC1C1N=COC1c1cccnc1
InChIInChI=1S/C13H15N3O3/c17-9-16-4-5-18-7-11(16)12-13(19-8-15-12)10-2-1-3-14-6-10/h1-3,6,8-9,11-13H,4-5,7H2
InChIKeyIVCOMXXJIUPBPJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.41
Rot. Bonds3

About 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde

3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde (PubChem CID 87854794) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde
PubChem CID87854794
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde
SMILESO=CN1CCOCC1C1N=COC1c1cccnc1
InChIInChI=1S/C13H15N3O3/c17-9-16-4-5-18-7-11(16)12-13(19-8-15-12)10-2-1-3-14-6-10/h1-3,6,8-9,11-13H,4-5,7H2
InChIKeyIVCOMXXJIUPBPJ-UHFFFAOYSA-N
XLogP0.41
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde?
The IUPAC name of 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde (CID 87854794) is 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde.
What is the SMILES notation for 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde?
The canonical SMILES for 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde is O=CN1CCOCC1C1N=COC1c1cccnc1.
What is the InChIKey of 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde?
The InChIKey is IVCOMXXJIUPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-16-4-5-18-7-11(16)12-13(19-8-15-12)10-2-1-3-14-6-10/h1-3,6,8-9,11-13H,4-5,7H2.
What are the key properties of 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde?
3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde is sourced from PubChem (CID 87854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).