N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H21ClFN3O2 — CID 16597484

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C22H21ClFN3O2/c23-15-7-8-19(27-11-3-4-12-27)18(13-15)26-21(28)9-10-22-25-14-20(29-22)16-5-1-2-6-17(16)24/h1-2,5-8,13-14H,3-4,9-12H2,(H,26,28)
InChIKeyWAYKAXUTJUCATJ-UHFFFAOYSA-N
MW413.88 g/mol
LogP5.31
Rot. Bonds6

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16597484) has the molecular formula C22H21ClFN3O2 and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16597484
Molecular FormulaC22H21ClFN3O2
Molecular Weight413.88 g/mol
Exact Mass413.13
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C22H21ClFN3O2/c23-15-7-8-19(27-11-3-4-12-27)18(13-15)26-21(28)9-10-22-25-14-20(29-22)16-5-1-2-6-17(16)24/h1-2,5-8,13-14H,3-4,9-12H2,(H,26,28)
InChIKeyWAYKAXUTJUCATJ-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

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
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3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
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4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
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N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16597484) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WAYKAXUTJUCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O2/c23-15-7-8-19(27-11-3-4-12-27)18(13-15)26-21(28)9-10-22-25-14-20(29-22)16-5-1-2-6-17(16)24/h1-2,5-8,13-14H,3-4,9-12H2,(H,26,28).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]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 N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16597484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).