5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole

C19H20F2N4O2 — CID 15954639

IUPAC5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)nn1
InChIInChI=1S/C19H20F2N4O2/c1-11-9-14(18-22-19(17(20)21)27-25-18)10-12(2)16(11)26-8-4-5-15-7-6-13(3)23-24-15/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyYSCWZTRHQHGVFO-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.40
Rot. Bonds7

About 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole

5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 15954639) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
PubChem CID15954639
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)nn1
InChIInChI=1S/C19H20F2N4O2/c1-11-9-14(18-22-19(17(20)21)27-25-18)10-12(2)16(11)26-8-4-5-15-7-6-13(3)23-24-15/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyYSCWZTRHQHGVFO-UHFFFAOYSA-N
XLogP4.40
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 54752774
CID 54752774
CID 913865
CID 913865
CID 132258543
CID 132258543
CID 132258656
CID 132258656
CID 10091835
CID 10091835
CID 10088451
CID 10088451
CID 10088693
CID 10088693
CID 11741376
CID 11741376
CID 46329557
CID 46329557
CID 15341407
CID 15341407
CID 15341408
CID 15341408
CID 15341409
CID 15341409

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole (CID 15954639) is 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole is Cc1ccc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)nn1.
What is the InChIKey of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is YSCWZTRHQHGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-11-9-14(18-22-19(17(20)21)27-25-18)10-12(2)16(11)26-8-4-5-15-7-6-13(3)23-24-15/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole?
5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 374.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 15954639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).