5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C22H17ClN6O2 — CID 50838067

IUPAC5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C22H17ClN6O2/c1-13-19(22-25-20(27-31-22)15-7-4-3-5-8-15)26-28-29(13)12-18-14(2)30-21(24-18)16-9-6-10-17(23)11-16/h3-11H,12H2,1-2H3
InChIKeyZPLPUOZSCWMPPY-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.97
Rot. Bonds5

About 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50838067) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50838067
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC Name5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C22H17ClN6O2/c1-13-19(22-25-20(27-31-22)15-7-4-3-5-8-15)26-28-29(13)12-18-14(2)30-21(24-18)16-9-6-10-17(23)11-16/h3-11H,12H2,1-2H3
InChIKeyZPLPUOZSCWMPPY-UHFFFAOYSA-N
XLogP4.97
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 50838051
3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole
CID 50838040
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53089035
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 42585949
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91911995

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 50838067) is 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C.
What is the InChIKey of 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZPLPUOZSCWMPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-13-19(22-25-20(27-31-22)15-7-4-3-5-8-15)26-28-29(13)12-18-14(2)30-21(24-18)16-9-6-10-17(23)11-16/h3-11H,12H2,1-2H3.
What are the key properties of 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 432.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50838067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).