5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H22N4O2 — CID 97435143

IUPAC5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCn1nc(CC(C)C)cc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C15H22N4O2/c1-4-19-13(8-12(17-19)7-10(2)3)15-16-14(18-21-15)11-5-6-20-9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyUKWUUZAUMUERMM-NSHDSACASA-N
MW290.37 g/mol
LogP2.66
Rot. Bonds5

About 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97435143) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97435143
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCn1nc(CC(C)C)cc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C15H22N4O2/c1-4-19-13(8-12(17-19)7-10(2)3)15-16-14(18-21-15)11-5-6-20-9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyUKWUUZAUMUERMM-NSHDSACASA-N
XLogP2.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97435143) is 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is CCn1nc(CC(C)C)cc1-c1nc([C@H]2CCOC2)no1.
What is the InChIKey of 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is UKWUUZAUMUERMM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-19-13(8-12(17-19)7-10(2)3)15-16-14(18-21-15)11-5-6-20-9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).