N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H20FN3O2 — CID 50754415

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c1-24(2)18(14-8-10-16(21)11-9-14)13-22-20(25)17-12-19(26-23-17)15-6-4-3-5-7-15/h3-12,18H,13H2,1-2H3,(H,22,25)
InChIKeyHWQQVFHDDOIBQV-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 50754415) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID50754415
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c1-24(2)18(14-8-10-16(21)11-9-14)13-22-20(25)17-12-19(26-23-17)15-6-4-3-5-7-15/h3-12,18H,13H2,1-2H3,(H,22,25)
InChIKeyHWQQVFHDDOIBQV-UHFFFAOYSA-N
XLogP3.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 50754415) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(C)C(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HWQQVFHDDOIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-24(2)18(14-8-10-16(21)11-9-14)13-22-20(25)17-12-19(26-23-17)15-6-4-3-5-7-15/h3-12,18H,13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).