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

C18H16FN3O3 — CID 110334066

IUPAC3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H16FN3O3/c1-24-15-8-6-14(7-9-15)20-16(23)10-11-17-21-22-18(25-17)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyUODGILUHHKDGGP-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.46
Rot. Bonds6

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

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 110334066) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID110334066
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H16FN3O3/c1-24-15-8-6-14(7-9-15)20-16(23)10-11-17-21-22-18(25-17)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyUODGILUHHKDGGP-UHFFFAOYSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334072
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334102
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
[2-(4-fluoroanilino)-2-oxoethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 8003554
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide (CID 110334066) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is UODGILUHHKDGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-15-8-6-14(7-9-15)20-16(23)10-11-17-21-22-18(25-17)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide?
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 341.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).