N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H24FN3O2 — CID 42510383

IUPACN-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC[C@H](NC(=O)CCc1nnc(CCc2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-2-19(17-9-11-18(23)12-10-17)24-20(27)13-15-22-26-25-21(28-22)14-8-16-6-4-3-5-7-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyZWOZHQWBHIVCPP-IBGZPJMESA-N
MW381.45 g/mol
LogP4.19
Rot. Bonds9

About N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42510383) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42510383
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC[C@H](NC(=O)CCc1nnc(CCc2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-2-19(17-9-11-18(23)12-10-17)24-20(27)13-15-22-26-25-21(28-22)14-8-16-6-4-3-5-7-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyZWOZHQWBHIVCPP-IBGZPJMESA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 42510383) is N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide is CC[C@H](NC(=O)CCc1nnc(CCc2ccccc2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ZWOZHQWBHIVCPP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-2-19(17-9-11-18(23)12-10-17)24-20(27)13-15-22-26-25-21(28-22)14-8-16-6-4-3-5-7-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42510383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).