N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C22H18F3N3O3 — CID 126468226

IUPACN-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)16-9-3-1-7-14(16)19-18(26-13-31-19)20(29)27-17-10-4-2-8-15(17)21(30)28-11-5-6-12-28/h1-4,7-10,13H,5-6,11-12H2,(H,27,29)
InChIKeyRUKUIUSYHMRVGG-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.85
Rot. Bonds4

About N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 126468226) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID126468226
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)16-9-3-1-7-14(16)19-18(26-13-31-19)20(29)27-17-10-4-2-8-15(17)21(30)28-11-5-6-12-28/h1-4,7-10,13H,5-6,11-12H2,(H,27,29)
InChIKeyRUKUIUSYHMRVGG-UHFFFAOYSA-N
XLogP4.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 126468226) is N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RUKUIUSYHMRVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c23-22(24,25)16-9-3-1-7-14(16)19-18(26-13-31-19)20(29)27-17-10-4-2-8-15(17)21(30)28-11-5-6-12-28/h1-4,7-10,13H,5-6,11-12H2,(H,27,29).
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126468226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).