3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide

C22H17F3N4O2 — CID 55491975

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-7-8-18(29-12-4-11-27-29)17(13-16)28-20(30)9-10-21-26-14-19(31-21)15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,28,30)
InChIKeyJJJCWHDXPYAYGB-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.12
Rot. Bonds6

About 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide

3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 55491975) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID55491975
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-7-8-18(29-12-4-11-27-29)17(13-16)28-20(30)9-10-21-26-14-19(31-21)15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,28,30)
InChIKeyJJJCWHDXPYAYGB-UHFFFAOYSA-N
XLogP5.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide (CID 55491975) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JJJCWHDXPYAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)16-7-8-18(29-12-4-11-27-29)17(13-16)28-20(30)9-10-21-26-14-19(31-21)15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,28,30).
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide?
3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 426.40 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55491975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).