4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid

C14H14N2O4 — CID 135431471

IUPAC4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid
SMILESO=C(O)CCC/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,19H,4,7-8H2,(H,17,18)/b15-9+
InChIKeyRXQQQCJIZJZOBT-OQLLNIDSSA-N
MW274.28 g/mol
LogP2.33
Rot. Bonds6

About 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid

4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid (PubChem CID 135431471) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid
PubChem CID135431471
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid
SMILESO=C(O)CCC/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,19H,4,7-8H2,(H,17,18)/b15-9+
InChIKeyRXQQQCJIZJZOBT-OQLLNIDSSA-N
XLogP2.33
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid?
The IUPAC name of 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid (CID 135431471) is 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid.
What is the SMILES notation for 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid?
The canonical SMILES for 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid is O=C(O)CCC/N=C/c1nc(-c2ccccc2)oc1O.
What is the InChIKey of 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid?
The InChIKey is RXQQQCJIZJZOBT-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,19H,4,7-8H2,(H,17,18)/b15-9+.
What are the key properties of 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid?
4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid is sourced from PubChem (CID 135431471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).