3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide

C24H21F2N5O3 — CID 55954808

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C24H21F2N5O3/c25-17-5-6-19(20(26)12-17)21-14-28-24(34-21)8-7-22(32)27-13-16-3-1-4-18(11-16)30-23(33)15-31-10-2-9-29-31/h1-6,9-12,14H,7-8,13,15H2,(H,27,32)(H,30,33)
InChIKeyNCYNJRODAFKRJO-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.70
Rot. Bonds9

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide (PubChem CID 55954808) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
PubChem CID55954808
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C24H21F2N5O3/c25-17-5-6-19(20(26)12-17)21-14-28-24(34-21)8-7-22(32)27-13-16-3-1-4-18(11-16)30-23(33)15-31-10-2-9-29-31/h1-6,9-12,14H,7-8,13,15H2,(H,27,32)(H,30,33)
InChIKeyNCYNJRODAFKRJO-UHFFFAOYSA-N
XLogP3.70
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
CID 34643923
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 32990182
N-[3-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 111877623
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 55800859

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide (CID 55954808) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The InChIKey is NCYNJRODAFKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c25-17-5-6-19(20(26)12-17)21-14-28-24(34-21)8-7-22(32)27-13-16-3-1-4-18(11-16)30-23(33)15-31-10-2-9-29-31/h1-6,9-12,14H,7-8,13,15H2,(H,27,32)(H,30,33).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide has a molecular weight of 465.46 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide is sourced from PubChem (CID 55954808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).