3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

C22H21ClFN3O2 — CID 55890052

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C22H21ClFN3O2/c23-16-5-3-15(4-6-16)20-14-25-22(29-20)10-9-21(28)26-17-7-8-19(18(24)13-17)27-11-1-2-12-27/h3-8,13-14H,1-2,9-12H2,(H,26,28)
InChIKeyVZNDTVAQZBRWMW-UHFFFAOYSA-N
MW413.88 g/mol
LogP5.31
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 55890052) has the molecular formula C22H21ClFN3O2 and a molecular weight of 413.88 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID55890052
Molecular FormulaC22H21ClFN3O2
Molecular Weight413.88 g/mol
Exact Mass413.13
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C22H21ClFN3O2/c23-16-5-3-15(4-6-16)20-14-25-22(29-20)10-9-21(28)26-17-7-8-19(18(24)13-17)27-11-1-2-12-27/h3-8,13-14H,1-2,9-12H2,(H,26,28)
InChIKeyVZNDTVAQZBRWMW-UHFFFAOYSA-N
XLogP5.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.88
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)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-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86939628
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 43039929
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 26129086
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (CID 55890052) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is VZNDTVAQZBRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O2/c23-16-5-3-15(4-6-16)20-14-25-22(29-20)10-9-21(28)26-17-7-8-19(18(24)13-17)27-11-1-2-12-27/h3-8,13-14H,1-2,9-12H2,(H,26,28).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 413.88 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 55890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).