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

C18H17FN4O2 — CID 110330385

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccnc2)o1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-15-5-3-13(4-6-15)9-11-21-16(24)7-8-17-22-23-18(25-17)14-2-1-10-20-12-14/h1-6,10,12H,7-9,11H2,(H,21,24)
InChIKeyAKFJYNUIFFPFLY-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.56
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330385) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330385
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccnc2)o1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-15-5-3-13(4-6-15)9-11-21-16(24)7-8-17-22-23-18(25-17)14-2-1-10-20-12-14/h1-6,10,12H,7-9,11H2,(H,21,24)
InChIKeyAKFJYNUIFFPFLY-UHFFFAOYSA-N
XLogP2.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 166419183
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
N-cyclopentyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330351
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51132975
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330385) is N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2cccnc2)o1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is AKFJYNUIFFPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-5-3-13(4-6-15)9-11-21-16(24)7-8-17-22-23-18(25-17)14-2-1-10-20-12-14/h1-6,10,12H,7-9,11H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 340.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).