3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide

C24H20FN3O2 — CID 16590817

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FN3O2/c25-21-14-8-7-13-20(21)22-17-26-24(30-22)16-15-23(29)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,29)
InChIKeyBGTXVNQTJIQBOG-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.28
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide (PubChem CID 16590817) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
PubChem CID16590817
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FN3O2/c25-21-14-8-7-13-20(21)22-17-26-24(30-22)16-15-23(29)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,29)
InChIKeyBGTXVNQTJIQBOG-UHFFFAOYSA-N
XLogP5.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41433415
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide (CID 16590817) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide is O=C(CCc1ncc(-c2ccccc2F)o1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide?
The InChIKey is BGTXVNQTJIQBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-21-14-8-7-13-20(21)22-17-26-24(30-22)16-15-23(29)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,29).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide has a molecular weight of 401.44 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide is sourced from PubChem (CID 16590817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).