N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide

C22H22FN3O4 — CID 43039178

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O4/c1-14-4-3-5-15(2)22(14)29-13-20(28)26-25-19(27)10-11-21-24-12-18(30-21)16-6-8-17(23)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNUIOWYCGLJZBER-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.26
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide (PubChem CID 43039178) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
PubChem CID43039178
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O4/c1-14-4-3-5-15(2)22(14)29-13-20(28)26-25-19(27)10-11-21-24-12-18(30-21)16-6-8-17(23)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNUIOWYCGLJZBER-UHFFFAOYSA-N
XLogP3.26
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.26
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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
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N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 30133076
N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide
CID 51309624
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 29499309
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55748394
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide (CID 43039178) is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The InChIKey is NUIOWYCGLJZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14-4-3-5-15(2)22(14)29-13-20(28)26-25-19(27)10-11-21-24-12-18(30-21)16-6-8-17(23)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide has a molecular weight of 411.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide is sourced from PubChem (CID 43039178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).