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

C19H17BrFN3O3 — CID 3243551

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C19H17BrFN3O3/c1-26-16-7-6-13(20)10-12(16)11-22-17(25)8-9-18-23-19(24-27-18)14-4-2-3-5-15(14)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyMVENRGJTCVJJCJ-UHFFFAOYSA-N
MW434.27 g/mol
LogP3.90
Rot. Bonds7

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

N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3243551) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3243551
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C19H17BrFN3O3/c1-26-16-7-6-13(20)10-12(16)11-22-17(25)8-9-18-23-19(24-27-18)14-4-2-3-5-15(14)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyMVENRGJTCVJJCJ-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[(5-bromo-2-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55595156
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970460
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3243551) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is MVENRGJTCVJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c1-26-16-7-6-13(20)10-12(16)11-22-17(25)8-9-18-23-19(24-27-18)14-4-2-3-5-15(14)21/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 434.27 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3243551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).