N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

C22H24FN3O3 — CID 42395294

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15(17-6-8-18(23)9-7-17)24-20(27)12-14-22-26-25-21(29-22)13-5-16-3-10-19(28-2)11-4-16/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyCFTOLDOCROQIMY-OAHLLOKOSA-N
MW397.45 g/mol
LogP3.81
Rot. Bonds9

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42395294) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42395294
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15(17-6-8-18(23)9-7-17)24-20(27)12-14-22-26-25-21(29-22)13-5-16-3-10-19(28-2)11-4-16/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyCFTOLDOCROQIMY-OAHLLOKOSA-N
XLogP3.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754420
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42510383
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7800856
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42395294) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CCc2nnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is CFTOLDOCROQIMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15(17-6-8-18(23)9-7-17)24-20(27)12-14-22-26-25-21(29-22)13-5-16-3-10-19(28-2)11-4-16/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42395294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).