N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C23H24F2N2O3 — CID 96541271

IUPACN-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F
InChIInChI=1S/C23H24F2N2O3/c1-3-4-20(18-10-7-16(24)13-19(18)25)27-22(28)11-12-23-26-14-21(30-23)15-5-8-17(29-2)9-6-15/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyVZQORUVQPJFPSO-FQEVSTJZSA-N
MW414.45 g/mol
LogP5.22
Rot. Bonds9

About N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 96541271) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID96541271
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F
InChIInChI=1S/C23H24F2N2O3/c1-3-4-20(18-10-7-16(24)13-19(18)25)27-22(28)11-12-23-26-14-21(30-23)15-5-8-17(29-2)9-6-15/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyVZQORUVQPJFPSO-FQEVSTJZSA-N
XLogP5.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921779
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509094
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
CID 100633701
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 95047586

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 96541271) is N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is CCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is VZQORUVQPJFPSO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-3-4-20(18-10-7-16(24)13-19(18)25)27-22(28)11-12-23-26-14-21(30-23)15-5-8-17(29-2)9-6-15/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,27,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 414.45 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 96541271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).