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

C19H22N4O2 — CID 138001879

IUPAC5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)n1
InChIInChI=1S/C19H22N4O2/c1-3-23-11-8-16(21-23)17-20-18(22-25-17)19(9-12-24-13-10-19)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyQMUQTEHNJNWUMA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.36
Rot. Bonds4

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

5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole (PubChem CID 138001879) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole
PubChem CID138001879
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)n1
InChIInChI=1S/C19H22N4O2/c1-3-23-11-8-16(21-23)17-20-18(22-25-17)19(9-12-24-13-10-19)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyQMUQTEHNJNWUMA-UHFFFAOYSA-N
XLogP3.36
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole (CID 138001879) is 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole is CCn1ccc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)n1.
What is the InChIKey of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole?
The InChIKey is QMUQTEHNJNWUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-23-11-8-16(21-23)17-20-18(22-25-17)19(9-12-24-13-10-19)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3.
What are the key properties of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole?
5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138001879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).