5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C14H14ClN5O2 — CID 56907660

IUPAC5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(Cc3cccc(Cl)c3)nn2)n1
InChIInChI=1S/C14H14ClN5O2/c1-21-6-5-13-16-14(22-18-13)12-9-20(19-17-12)8-10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyPUMCMXUZQRTJFH-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.22
Rot. Bonds6

About 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 56907660) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID56907660
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(Cc3cccc(Cl)c3)nn2)n1
InChIInChI=1S/C14H14ClN5O2/c1-21-6-5-13-16-14(22-18-13)12-9-20(19-17-12)8-10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyPUMCMXUZQRTJFH-UHFFFAOYSA-N
XLogP2.22
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 56907660) is 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(-c2cn(Cc3cccc(Cl)c3)nn2)n1.
What is the InChIKey of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is PUMCMXUZQRTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-21-6-5-13-16-14(22-18-13)12-9-20(19-17-12)8-10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 319.75 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56907660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).