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

C22H19F2N3O4 — CID 24819346

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C22H19F2N3O4/c23-17-3-1-4-18(24)21(17)30-13-16-11-19(26-31-16)22(29)25-12-14-6-8-15(9-7-14)27-10-2-5-20(27)28/h1,3-4,6-9,11H,2,5,10,12-13H2,(H,25,29)
InChIKeyNUXSAJCRPOOGSU-UHFFFAOYSA-N
MW427.41 g/mol
LogP3.59
Rot. Bonds7

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

5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819346) has the molecular formula C22H19F2N3O4 and a molecular weight of 427.41 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24819346
Molecular FormulaC22H19F2N3O4
Molecular Weight427.41 g/mol
Exact Mass427.13
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C22H19F2N3O4/c23-17-3-1-4-18(24)21(17)30-13-16-11-19(26-31-16)22(29)25-12-14-6-8-15(9-7-14)27-10-2-5-20(27)28/h1,3-4,6-9,11H,2,5,10,12-13H2,(H,25,29)
InChIKeyNUXSAJCRPOOGSU-UHFFFAOYSA-N
XLogP3.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24793164
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589442
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 24819346) is 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NUXSAJCRPOOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O4/c23-17-3-1-4-18(24)21(17)30-13-16-11-19(26-31-16)22(29)25-12-14-6-8-15(9-7-14)27-10-2-5-20(27)28/h1,3-4,6-9,11H,2,5,10,12-13H2,(H,25,29).
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).