2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole

C15H14F2N4O2 — CID 19542389

IUPAC2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCCn1ncc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)c1C
InChIInChI=1S/C15H14F2N4O2/c1-3-21-9(2)12(8-18-21)14-20-19-13(23-14)10-4-6-11(7-5-10)22-15(16)17/h4-8,15H,3H2,1-2H3
InChIKeyHRHNHQCTUYWKLI-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.53
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole

2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 19542389) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID19542389
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCCn1ncc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)c1C
InChIInChI=1S/C15H14F2N4O2/c1-3-21-9(2)12(8-18-21)14-20-19-13(23-14)10-4-6-11(7-5-10)22-15(16)17/h4-8,15H,3H2,1-2H3
InChIKeyHRHNHQCTUYWKLI-UHFFFAOYSA-N
XLogP3.53
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole (CID 19542389) is 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole is CCn1ncc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)c1C.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is HRHNHQCTUYWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-3-21-9(2)12(8-18-21)14-20-19-13(23-14)10-4-6-11(7-5-10)22-15(16)17/h4-8,15H,3H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 320.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 19542389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).