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

C14H17N5O2S — CID 56861263

IUPAC3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole
SMILESCOCc1c(-c2nn3c(C4CCCC4)nnc3s2)noc1C
InChIInChI=1S/C14H17N5O2S/c1-8-10(7-20-2)11(18-21-8)13-17-19-12(9-5-3-4-6-9)15-16-14(19)22-13/h9H,3-7H2,1-2H3
InChIKeyVQBASIJAAFILQQ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.95
Rot. Bonds4

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

3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole (PubChem CID 56861263) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole
PubChem CID56861263
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole
SMILESCOCc1c(-c2nn3c(C4CCCC4)nnc3s2)noc1C
InChIInChI=1S/C14H17N5O2S/c1-8-10(7-20-2)11(18-21-8)13-17-19-12(9-5-3-4-6-9)15-16-14(19)22-13/h9H,3-7H2,1-2H3
InChIKeyVQBASIJAAFILQQ-UHFFFAOYSA-N
XLogP2.95
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole (CID 56861263) is 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole is COCc1c(-c2nn3c(C4CCCC4)nnc3s2)noc1C.
What is the InChIKey of 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole?
The InChIKey is VQBASIJAAFILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-8-10(7-20-2)11(18-21-8)13-17-19-12(9-5-3-4-6-9)15-16-14(19)22-13/h9H,3-7H2,1-2H3.
What are the key properties of 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole?
3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole has a molecular weight of 319.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(methoxymethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 56861263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).