3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide

C27H28F2N4O2 — CID 55976702

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C27H28F2N4O2/c1-33(27(34)14-13-26-30-18-25(35-26)22-11-4-5-12-23(22)29)15-6-2-3-10-21-17-24(32-31-21)19-8-7-9-20(28)16-19/h4-5,7-9,11-12,16-18H,2-3,6,10,13-15H2,1H3,(H,31,32)
InChIKeyDOLQGPQTRITCIU-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.81
Rot. Bonds11

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide (PubChem CID 55976702) has the molecular formula C27H28F2N4O2 and a molecular weight of 478.54 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
PubChem CID55976702
Molecular FormulaC27H28F2N4O2
Molecular Weight478.54 g/mol
Exact Mass478.22
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C27H28F2N4O2/c1-33(27(34)14-13-26-30-18-25(35-26)22-11-4-5-12-23(22)29)15-6-2-3-10-21-17-24(32-31-21)19-8-7-9-20(28)16-19/h4-5,7-9,11-12,16-18H,2-3,6,10,13-15H2,1H3,(H,31,32)
InChIKeyDOLQGPQTRITCIU-UHFFFAOYSA-N
XLogP5.81
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide
CID 55954378
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55954623
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 55975799
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55977088
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55953725
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55976698

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide (CID 55976702) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The InChIKey is DOLQGPQTRITCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O2/c1-33(27(34)14-13-26-30-18-25(35-26)22-11-4-5-12-23(22)29)15-6-2-3-10-21-17-24(32-31-21)19-8-7-9-20(28)16-19/h4-5,7-9,11-12,16-18H,2-3,6,10,13-15H2,1H3,(H,31,32).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide has a molecular weight of 478.54 g/mol, XLogP of 5.81, 11 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-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide is sourced from PubChem (CID 55976702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).