2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

C19H23F2N3O2 — CID 155955433

IUPAC2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1nc(C)c(CNC(=O)N2CCCC2Cc2cccc(F)c2F)o1
InChIInChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-19(25)24-9-5-7-14(24)10-13-6-4-8-15(20)18(13)21/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,22,25)
InChIKeyXHGCWUAENLWVEI-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.74
Rot. Bonds5

About 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 155955433) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID155955433
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1nc(C)c(CNC(=O)N2CCCC2Cc2cccc(F)c2F)o1
InChIInChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-19(25)24-9-5-7-14(24)10-13-6-4-8-15(20)18(13)21/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,22,25)
InChIKeyXHGCWUAENLWVEI-UHFFFAOYSA-N
XLogP3.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 155955433) is 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is CCc1nc(C)c(CNC(=O)N2CCCC2Cc2cccc(F)c2F)o1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XHGCWUAENLWVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-19(25)24-9-5-7-14(24)10-13-6-4-8-15(20)18(13)21/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-N-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155955433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).