3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

C12H17N5O2S — CID 60514367

IUPAC3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCOCCn1cnnc1SC(C)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N5O2S/c1-8(11-14-10(16-19-11)9-3-4-9)20-12-15-13-7-17(12)5-6-18-2/h7-9H,3-6H2,1-2H3
InChIKeyPZPLSAXKDXNBME-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.04
Rot. Bonds7

About 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 60514367) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID60514367
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCOCCn1cnnc1SC(C)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N5O2S/c1-8(11-14-10(16-19-11)9-3-4-9)20-12-15-13-7-17(12)5-6-18-2/h7-9H,3-6H2,1-2H3
InChIKeyPZPLSAXKDXNBME-UHFFFAOYSA-N
XLogP2.04
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole (CID 60514367) is 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole is COCCn1cnnc1SC(C)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is PZPLSAXKDXNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-8(11-14-10(16-19-11)9-3-4-9)20-12-15-13-7-17(12)5-6-18-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 295.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60514367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).