3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole

C19H22N4O2 — CID 146106188

IUPAC3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C(C)(C)C)cc1-c1noc(C2(n3cccn3)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-18(2,3)13-6-7-15(24-4)14(12-13)16-21-17(25-22-16)19(8-9-19)23-11-5-10-20-23/h5-7,10-12H,8-9H2,1-4H3
InChIKeyXYTVAJDUDNSOOU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.78
Rot. Bonds4

About 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole

3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 146106188) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
PubChem CID146106188
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C(C)(C)C)cc1-c1noc(C2(n3cccn3)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-18(2,3)13-6-7-15(24-4)14(12-13)16-21-17(25-22-16)19(8-9-19)23-11-5-10-20-23/h5-7,10-12H,8-9H2,1-4H3
InChIKeyXYTVAJDUDNSOOU-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole (CID 146106188) is 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole is COc1ccc(C(C)(C)C)cc1-c1noc(C2(n3cccn3)CC2)n1.
What is the InChIKey of 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is XYTVAJDUDNSOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-18(2,3)13-6-7-15(24-4)14(12-13)16-21-17(25-22-16)19(8-9-19)23-11-5-10-20-23/h5-7,10-12H,8-9H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methoxyphenyl)-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146106188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).