2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C22H20ClN5O3 — CID 19328650

IUPAC2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1nn(Cc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)c(C)c1Cl
InChIInChI=1S/C22H20ClN5O3/c1-13-20(23)14(2)28(26-13)11-15-3-5-17(6-4-15)22-25-21(27-31-22)16-7-9-18(10-8-16)30-12-19(24)29/h3-10H,11-12H2,1-2H3,(H2,24,29)
InChIKeyVYADDIMPBGRLJS-UHFFFAOYSA-N
MW437.89 g/mol
LogP3.78
Rot. Bonds7

About 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328650) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328650
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1nn(Cc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)c(C)c1Cl
InChIInChI=1S/C22H20ClN5O3/c1-13-20(23)14(2)28(26-13)11-15-3-5-17(6-4-15)22-25-21(27-31-22)16-7-9-18(10-8-16)30-12-19(24)29/h3-10H,11-12H2,1-2H3,(H2,24,29)
InChIKeyVYADDIMPBGRLJS-UHFFFAOYSA-N
XLogP3.78
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
CID 19298406
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-[5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328716
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328449

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328650) is 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1nn(Cc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)c(C)c1Cl.
What is the InChIKey of 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is VYADDIMPBGRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-13-20(23)14(2)28(26-13)11-15-3-5-17(6-4-15)22-25-21(27-31-22)16-7-9-18(10-8-16)30-12-19(24)29/h3-10H,11-12H2,1-2H3,(H2,24,29).
What are the key properties of 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 437.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).