N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide

C23H28N2O2 — CID 19365195

IUPACN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)22(26)24-20(15-18-12-8-5-9-13-18)21-16-19(25-27-21)14-17-10-6-4-7-11-17/h4-13,20-21H,14-16H2,1-3H3,(H,24,26)
InChIKeyTWEXMBCJZTVGHP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide

N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide (PubChem CID 19365195) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
PubChem CID19365195
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)22(26)24-20(15-18-12-8-5-9-13-18)21-16-19(25-27-21)14-17-10-6-4-7-11-17/h4-13,20-21H,14-16H2,1-3H3,(H,24,26)
InChIKeyTWEXMBCJZTVGHP-UHFFFAOYSA-N
XLogP4.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
CID 19365192
benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 22885970
furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 19365228
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 19365206
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-4-methoxybenzenesulfonamide
CID 19365166
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159566
(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26350050

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide (CID 19365195) is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The InChIKey is TWEXMBCJZTVGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)22(26)24-20(15-18-12-8-5-9-13-18)21-16-19(25-27-21)14-17-10-6-4-7-11-17/h4-13,20-21H,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19365195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).