4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H15N5O2S — CID 56762577

IUPAC4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1
InChIInChI=1S/C16H15N5O2S/c1-9-13(10(2)23-20-9)8-14-19-21-15(17-18-16(21)24-14)11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyBPVZFHNPITWNRA-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.06
Rot. Bonds4

About 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56762577) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID56762577
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1
InChIInChI=1S/C16H15N5O2S/c1-9-13(10(2)23-20-9)8-14-19-21-15(17-18-16(21)24-14)11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyBPVZFHNPITWNRA-UHFFFAOYSA-N
XLogP3.06
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 56762577) is 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BPVZFHNPITWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9-13(10(2)23-20-9)8-14-19-21-15(17-18-16(21)24-14)11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 341.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56762577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).