[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C16H19N3O3 — CID 4599542

IUPAC[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2coc(-c3ccc(N)cc3)n2)CC(C)O1
InChIInChI=1S/C16H19N3O3/c1-10-7-19(8-11(2)22-10)16(20)14-9-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyPDXPSBHJVKTMLW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds2

About [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 4599542) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID4599542
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2coc(-c3ccc(N)cc3)n2)CC(C)O1
InChIInChI=1S/C16H19N3O3/c1-10-7-19(8-11(2)22-10)16(20)14-9-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyPDXPSBHJVKTMLW-UHFFFAOYSA-N
XLogP2.17
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
(3S,4S)-1-(2-phenyl-1,3-oxazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949165
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90105596

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 4599542) is [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2coc(-c3ccc(N)cc3)n2)CC(C)O1.
What is the InChIKey of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is PDXPSBHJVKTMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-19(8-11(2)22-10)16(20)14-9-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8,17H2,1-2H3.
What are the key properties of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 4599542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).