2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid

C11H15N3O5 — CID 113411549

IUPAC2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O5/c15-9(14-3-5-18-6-4-14)1-2-12-11-13-8(7-19-11)10(16)17/h7H,1-6H2,(H,12,13)(H,16,17)
InChIKeyGXHMHXUMWYAUGP-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.03
Rot. Bonds5

About 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid

2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 113411549) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
PubChem CID113411549
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O5/c15-9(14-3-5-18-6-4-14)1-2-12-11-13-8(7-19-11)10(16)17/h7H,1-6H2,(H,12,13)(H,16,17)
InChIKeyGXHMHXUMWYAUGP-UHFFFAOYSA-N
XLogP0.03
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133370153
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767

Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid (CID 113411549) is 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GXHMHXUMWYAUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-9(14-3-5-18-6-4-14)1-2-12-11-13-8(7-19-11)10(16)17/h7H,1-6H2,(H,12,13)(H,16,17).
What are the key properties of 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid?
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113411549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).