5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde

C8H10N2O3 — CID 96628098

IUPAC5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(N2CCOCC2)on1
InChIInChI=1S/C8H10N2O3/c11-6-7-5-8(13-9-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyHHGPEKCBHQCFKY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.32
Rot. Bonds2

About 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde

5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde (PubChem CID 96628098) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde
PubChem CID96628098
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(N2CCOCC2)on1
InChIInChI=1S/C8H10N2O3/c11-6-7-5-8(13-9-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyHHGPEKCBHQCFKY-UHFFFAOYSA-N
XLogP0.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-oxopiperidin-1-yl)-1,2-oxazole-3-carbaldehyde
CID 174388826
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
CID 133149986
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24738646
6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
CID 143625885
5-pyrrolidin-1-yl-1,2-oxazol-3-amine
CID 112711331
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564
8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
CID 170708206
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
2-chloro-6-morpholin-4-ylpyran-4-one;ethane
CID 142221667

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde (CID 96628098) is 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde is O=Cc1cc(N2CCOCC2)on1.
What is the InChIKey of 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde?
The InChIKey is HHGPEKCBHQCFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-7-5-8(13-9-7)10-1-3-12-4-2-10/h5-6H,1-4H2.
What are the key properties of 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde?
5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde has a molecular weight of 182.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 96628098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).