2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid

C20H18N2O4 — CID 87486653

IUPAC2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid
SMILESO=C(O)CO/N=C\CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H18N2O4/c23-18(24)14-25-21-13-7-12-17-22-19(15-8-3-1-4-9-15)20(26-17)16-10-5-2-6-11-16/h1-6,8-11,13H,7,12,14H2,(H,23,24)/b21-13-
InChIKeyYUPQWBRZJOVWQY-BKUYFWCQSA-N
MW350.37 g/mol
LogP4.03
Rot. Bonds8

About 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid

2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid (PubChem CID 87486653) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid
PubChem CID87486653
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid
SMILESO=C(O)CO/N=C\CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H18N2O4/c23-18(24)14-25-21-13-7-12-17-22-19(15-8-3-1-4-9-15)20(26-17)16-10-5-2-6-11-16/h1-6,8-11,13H,7,12,14H2,(H,23,24)/b21-13-
InChIKeyYUPQWBRZJOVWQY-BKUYFWCQSA-N
XLogP4.03
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid?
The IUPAC name of 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid (CID 87486653) is 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid is O=C(O)CO/N=C\CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid?
The InChIKey is YUPQWBRZJOVWQY-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(24)14-25-21-13-7-12-17-22-19(15-8-3-1-4-9-15)20(26-17)16-10-5-2-6-11-16/h1-6,8-11,13H,7,12,14H2,(H,23,24)/b21-13-.
What are the key properties of 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid?
2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid has a molecular weight of 350.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid is sourced from PubChem (CID 87486653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).