2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide

C21H20FN3O3 — CID 48731838

IUPAC2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O3/c22-16-8-6-15(7-9-16)18-13-24-20(28-18)11-10-19(26)25-17(21(23)27)12-14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H2,23,27)(H,25,26)
InChIKeyKQZHZMHASRDJJB-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.63
Rot. Bonds8

About 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide

2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide (PubChem CID 48731838) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
PubChem CID48731838
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O3/c22-16-8-6-15(7-9-16)18-13-24-20(28-18)11-10-19(26)25-17(21(23)27)12-14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H2,23,27)(H,25,26)
InChIKeyKQZHZMHASRDJJB-UHFFFAOYSA-N
XLogP2.63
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
CID 100633701
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[2-(3-fluorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29478716
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
CID 94818763
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24607191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide?
The IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide (CID 48731838) is 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide?
The InChIKey is KQZHZMHASRDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-16-8-6-15(7-9-16)18-13-24-20(28-18)11-10-19(26)25-17(21(23)27)12-14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H2,23,27)(H,25,26).
What are the key properties of 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide?
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide has a molecular weight of 381.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 48731838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).