2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide

C21H20FN3O4 — CID 134011055

IUPAC2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20FN3O4/c1-14(28-17-10-6-5-9-16(17)22)21(27)25-24-19(26)11-12-20-23-13-18(29-20)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeySPVCEGBEOWXYNZ-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide

2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide (PubChem CID 134011055) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide
PubChem CID134011055
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20FN3O4/c1-14(28-17-10-6-5-9-16(17)22)21(27)25-24-19(26)11-12-20-23-13-18(29-20)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeySPVCEGBEOWXYNZ-UHFFFAOYSA-N
XLogP3.03
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 7910894
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32597256
N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 43039183
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide (CID 134011055) is 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide?
The InChIKey is SPVCEGBEOWXYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-14(28-17-10-6-5-9-16(17)22)21(27)25-24-19(26)11-12-20-23-13-18(29-20)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide?
2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide has a molecular weight of 397.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 134011055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).