3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C15H16N4O2 — CID 8520614

IUPAC3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)cc1
InChIInChI=1S/C15H16N4O2/c1-9(2)12-8-13(18-17-12)15-16-14(19-21-15)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyYMAJUGZPKQBOLX-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.26
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 8520614) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID8520614
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)cc1
InChIInChI=1S/C15H16N4O2/c1-9(2)12-8-13(18-17-12)15-16-14(19-21-15)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyYMAJUGZPKQBOLX-UHFFFAOYSA-N
XLogP3.26
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 8520614) is 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is YMAJUGZPKQBOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)12-8-13(18-17-12)15-16-14(19-21-15)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 8520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).