N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C21H14F5N3O3 — CID 155956161

IUPACN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F5N3O3/c22-13-5-2-6-14(23)17(13)29-8-7-15(20(29)31)28-19(30)16-18(32-10-27-16)11-3-1-4-12(9-11)21(24,25)26/h1-6,9-10,15H,7-8H2,(H,28,30)
InChIKeyACCVIIBEJXVFPN-UHFFFAOYSA-N
MW451.35 g/mol
LogP4.17
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 155956161) has the molecular formula C21H14F5N3O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID155956161
Molecular FormulaC21H14F5N3O3
Molecular Weight451.35 g/mol
Exact Mass451.10
IUPAC NameN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F5N3O3/c22-13-5-2-6-14(23)17(13)29-8-7-15(20(29)31)28-19(30)16-18(32-10-27-16)11-3-1-4-12(9-11)21(24,25)26/h1-6,9-10,15H,7-8H2,(H,28,30)
InChIKeyACCVIIBEJXVFPN-UHFFFAOYSA-N
XLogP4.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 155956161) is N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ncoc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ACCVIIBEJXVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3O3/c22-13-5-2-6-14(23)17(13)29-8-7-15(20(29)31)28-19(30)16-18(32-10-27-16)11-3-1-4-12(9-11)21(24,25)26/h1-6,9-10,15H,7-8H2,(H,28,30).
What are the key properties of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155956161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).