3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole

C15H15ClN4O2 — CID 146106241

IUPAC3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(Cc2cnn(C)c2C)n1
InChIInChI=1S/C15H15ClN4O2/c1-9-10(8-17-20(9)2)7-13-18-15(19-22-13)11-5-4-6-12(16)14(11)21-3/h4-6,8H,7H2,1-3H3
InChIKeyLHDYOQDGKLBDTE-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.03
Rot. Bonds4

About 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole

3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 146106241) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID146106241
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(Cc2cnn(C)c2C)n1
InChIInChI=1S/C15H15ClN4O2/c1-9-10(8-17-20(9)2)7-13-18-15(19-22-13)11-5-4-6-12(16)14(11)21-3/h4-6,8H,7H2,1-3H3
InChIKeyLHDYOQDGKLBDTE-UHFFFAOYSA-N
XLogP3.03
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole (CID 146106241) is 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole is COc1c(Cl)cccc1-c1noc(Cc2cnn(C)c2C)n1.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LHDYOQDGKLBDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-9-10(8-17-20(9)2)7-13-18-15(19-22-13)11-5-4-6-12(16)14(11)21-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 318.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146106241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).