N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

C24H27FN2O2 — CID 24607191

IUPACN-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)NCCc3cccc(F)c3)o2)cc1
InChIInChI=1S/C24H27FN2O2/c1-17(2)14-19-6-8-20(9-7-19)22-16-27-24(29-22)11-10-23(28)26-13-12-18-4-3-5-21(25)15-18/h3-9,15-17H,10-14H2,1-2H3,(H,26,28)
InChIKeyTVMCVHGKPBLLDO-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.97
Rot. Bonds9

About N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (PubChem CID 24607191) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
PubChem CID24607191
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)NCCc3cccc(F)c3)o2)cc1
InChIInChI=1S/C24H27FN2O2/c1-17(2)14-19-6-8-20(9-7-19)22-16-27-24(29-22)11-10-23(28)26-13-12-18-4-3-5-21(25)15-18/h3-9,15-17H,10-14H2,1-2H3,(H,26,28)
InChIKeyTVMCVHGKPBLLDO-UHFFFAOYSA-N
XLogP4.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29478716
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 39957558
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24606784
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 34967892
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551
N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 48670903
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55748394
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (CID 24607191) is N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is CC(C)Cc1ccc(-c2cnc(CCC(=O)NCCc3cccc(F)c3)o2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The InChIKey is TVMCVHGKPBLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-17(2)14-19-6-8-20(9-7-19)22-16-27-24(29-22)11-10-23(28)26-13-12-18-4-3-5-21(25)15-18/h3-9,15-17H,10-14H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide has a molecular weight of 394.49 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24607191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).