5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

C14H20F2N4O2 — CID 75391272

IUPAC5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1
InChIInChI=1S/C14H20F2N4O2/c1-8(2)7-20-10(11(15)16)9(6-17-20)12-18-13(19-22-12)14(3,4)21-5/h6,8,11H,7H2,1-5H3
InChIKeyUSOYWEVWNZISNC-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.41
Rot. Bonds6

About 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 75391272) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID75391272
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1
InChIInChI=1S/C14H20F2N4O2/c1-8(2)7-20-10(11(15)16)9(6-17-20)12-18-13(19-22-12)14(3,4)21-5/h6,8,11H,7H2,1-5H3
InChIKeyUSOYWEVWNZISNC-UHFFFAOYSA-N
XLogP3.41
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 75391272) is 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is COC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1.
What is the InChIKey of 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is USOYWEVWNZISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-8(2)7-20-10(11(15)16)9(6-17-20)12-18-13(19-22-12)14(3,4)21-5/h6,8,11H,7H2,1-5H3.
What are the key properties of 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 314.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75391272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).