5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C13H18N4O2 — CID 97454544

IUPAC5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCCn1ncc(-c2nc([C@H]3CCOC3)no2)c1C
InChIInChI=1S/C13H18N4O2/c1-3-5-17-9(2)11(7-14-17)13-15-12(16-19-13)10-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyKVLITNNDVNQXPX-JTQLQIEISA-N
MW262.31 g/mol
LogP2.16
Rot. Bonds4

About 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97454544) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97454544
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCCn1ncc(-c2nc([C@H]3CCOC3)no2)c1C
InChIInChI=1S/C13H18N4O2/c1-3-5-17-9(2)11(7-14-17)13-15-12(16-19-13)10-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyKVLITNNDVNQXPX-JTQLQIEISA-N
XLogP2.16
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97454544) is 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is CCCn1ncc(-c2nc([C@H]3CCOC3)no2)c1C.
What is the InChIKey of 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is KVLITNNDVNQXPX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-5-17-9(2)11(7-14-17)13-15-12(16-19-13)10-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97454544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).