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

C18H19F2N3O3 — CID 10406391

IUPAC5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)on1
InChIInChI=1S/C18H19F2N3O3/c1-10-7-13(17-21-18(16(19)20)26-23-17)8-11(2)15(10)24-6-4-5-14-9-12(3)22-25-14/h7-9,16H,4-6H2,1-3H3
InChIKeyYHEYWJUAGHSEJW-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.60
Rot. Bonds7

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

5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 10406391) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
PubChem CID10406391
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)on1
InChIInChI=1S/C18H19F2N3O3/c1-10-7-13(17-21-18(16(19)20)26-23-17)8-11(2)15(10)24-6-4-5-14-9-12(3)22-25-14/h7-9,16H,4-6H2,1-3H3
InChIKeyYHEYWJUAGHSEJW-UHFFFAOYSA-N
XLogP4.60
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.60
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

3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(fluoromethyl)-1,2,4-oxadiazole
CID 10472731
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 5273034
[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazol-5-yl] acetate
CID 5273036
5-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
CID 155551419
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
CID 14981815
3-[3,5-dimethyl-4-[3-(3-phenyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162667897
5-[5-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 15954765
3-[4-[9-[3-(methoxymethyl)-1,2-oxazol-5-yl]nonoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
CID 19804365
5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 162669293
1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine
CID 87905239
3-[4-[3-[3-[2-[2-[[4-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 11170674
deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 172944819

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole (CID 10406391) is 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole is Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)on1.
What is the InChIKey of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is YHEYWJUAGHSEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-10-7-13(17-21-18(16(19)20)26-23-17)8-11(2)15(10)24-6-4-5-14-9-12(3)22-25-14/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole?
5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 363.36 g/mol, XLogP of 4.60, 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-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10406391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).