2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide

C18H16FN3O3 — CID 50752042

IUPAC2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCc1ccccc1-c1nc(NC(=O)C(C)Oc2ccc(F)cc2)no1
InChIInChI=1S/C18H16FN3O3/c1-11-5-3-4-6-15(11)17-21-18(22-25-17)20-16(23)12(2)24-14-9-7-13(19)8-10-14/h3-10,12H,1-2H3,(H,20,22,23)
InChIKeyXUWPAFKELAYMMA-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.59
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 50752042) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID50752042
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCc1ccccc1-c1nc(NC(=O)C(C)Oc2ccc(F)cc2)no1
InChIInChI=1S/C18H16FN3O3/c1-11-5-3-4-6-15(11)17-21-18(22-25-17)20-16(23)12(2)24-14-9-7-13(19)8-10-14/h3-10,12H,1-2H3,(H,20,22,23)
InChIKeyXUWPAFKELAYMMA-UHFFFAOYSA-N
XLogP3.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 46299621
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
CID 39867773
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 39868138
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
2-(4-fluorophenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013988

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 50752042) is 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide is Cc1ccccc1-c1nc(NC(=O)C(C)Oc2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is XUWPAFKELAYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-5-3-4-6-15(11)17-21-18(22-25-17)20-16(23)12(2)24-14-9-7-13(19)8-10-14/h3-10,12H,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide?
2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 341.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 50752042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).