N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H20F2N2O2 — CID 31163413

IUPACN-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20F2N2O2/c1-14(16-8-9-17(22)18(23)12-16)25(2)21(26)11-10-20-24-13-19(27-20)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyBEORRRDCRWUPAQ-AWEZNQCLSA-N
MW370.40 g/mol
LogP4.77
Rot. Bonds6

About N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 31163413) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID31163413
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20F2N2O2/c1-14(16-8-9-17(22)18(23)12-16)25(2)21(26)11-10-20-24-13-19(27-20)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyBEORRRDCRWUPAQ-AWEZNQCLSA-N
XLogP4.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(5-Phenyl-2-oxazolyl)benzoic acid
CID 555391
2-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 7131003
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627
7-(4-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736628
3-(Methyl(3-phenylpropyl)amino)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16738148
3-Methyl-2,5-diphenyl-1,3-oxazol-3-ium
CID 2313868

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 31163413) is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is BEORRRDCRWUPAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-14(16-8-9-17(22)18(23)12-16)25(2)21(26)11-10-20-24-13-19(27-20)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 370.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 31163413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).