2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C17H18BrN5O3 — CID 19328716

IUPAC2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1nn(C(C)c2nc(-c3ccc(OCC(N)=O)cc3)no2)c(C)c1Br
InChIInChI=1S/C17H18BrN5O3/c1-9-15(18)10(2)23(21-9)11(3)17-20-16(22-26-17)12-4-6-13(7-5-12)25-8-14(19)24/h4-7,11H,8H2,1-3H3,(H2,19,24)
InChIKeyMFKIOILSQNHTDK-UHFFFAOYSA-N
MW420.27 g/mol
LogP2.79
Rot. Bonds6

About 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328716) has the molecular formula C17H18BrN5O3 and a molecular weight of 420.27 g/mol. Its IUPAC name is 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328716
Molecular FormulaC17H18BrN5O3
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1nn(C(C)c2nc(-c3ccc(OCC(N)=O)cc3)no2)c(C)c1Br
InChIInChI=1S/C17H18BrN5O3/c1-9-15(18)10(2)23(21-9)11(3)17-20-16(22-26-17)12-4-6-13(7-5-12)25-8-14(19)24/h4-7,11H,8H2,1-3H3,(H2,19,24)
InChIKeyMFKIOILSQNHTDK-UHFFFAOYSA-N
XLogP2.79
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324610
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-[1-(5-methyl-3-nitropyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328729
2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328650
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-(4-bromophenoxy)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 46402988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328716) is 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1nn(C(C)c2nc(-c3ccc(OCC(N)=O)cc3)no2)c(C)c1Br.
What is the InChIKey of 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is MFKIOILSQNHTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O3/c1-9-15(18)10(2)23(21-9)11(3)17-20-16(22-26-17)12-4-6-13(7-5-12)25-8-14(19)24/h4-7,11H,8H2,1-3H3,(H2,19,24).
What are the key properties of 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 420.27 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).