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2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole

C16H20N6O2 — CID 154794275

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCCn1nccc1-c1nnc([C@@H]2CCCO[C@H]2c2cnn(C)c2)o1
InChIInChI=1S/C16H20N6O2/c1-3-22-13(6-7-17-22)16-20-19-15(24-16)12-5-4-8-23-14(12)11-9-18-21(2)10-11/h6-7,9-10,12,14H,3-5,8H2,1-2H3/t12-,14+/m1/s1
InChIKeyBWPJXMDLLNYCNO-OCCSQVGLSA-N
MW328.38 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole

2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole (PubChem CID 154794275) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole
PubChem CID154794275
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCCn1nccc1-c1nnc([C@@H]2CCCO[C@H]2c2cnn(C)c2)o1
InChIInChI=1S/C16H20N6O2/c1-3-22-13(6-7-17-22)16-20-19-15(24-16)12-5-4-8-23-14(12)11-9-18-21(2)10-11/h6-7,9-10,12,14H,3-5,8H2,1-2H3/t12-,14+/m1/s1
InChIKeyBWPJXMDLLNYCNO-OCCSQVGLSA-N
XLogP2.32
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole (CID 154794275) is 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole is CCn1nccc1-c1nnc([C@@H]2CCCO[C@H]2c2cnn(C)c2)o1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole?
The InChIKey is BWPJXMDLLNYCNO-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-3-22-13(6-7-17-22)16-20-19-15(24-16)12-5-4-8-23-14(12)11-9-18-21(2)10-11/h6-7,9-10,12,14H,3-5,8H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole?
2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole has a molecular weight of 328.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154794275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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