N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C24H26N4O3 — CID 86968707

IUPACN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)c1cccc(C2CCCN2C(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C24H26N4O3/c1-27(2)19-11-6-10-18(14-19)21-12-7-13-28(21)23(29)16-25-24(30)20-15-22(31-26-20)17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,30)
InChIKeyGWQABQZNWPYZJF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86968707) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86968707
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)c1cccc(C2CCCN2C(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C24H26N4O3/c1-27(2)19-11-6-10-18(14-19)21-12-7-13-28(21)23(29)16-25-24(30)20-15-22(31-26-20)17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,30)
InChIKeyGWQABQZNWPYZJF-UHFFFAOYSA-N
XLogP3.50
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86968707) is N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(C)c1cccc(C2CCCN2C(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1.
What is the InChIKey of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GWQABQZNWPYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27(2)19-11-6-10-18(14-19)21-12-7-13-28(21)23(29)16-25-24(30)20-15-22(31-26-20)17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86968707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).