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

C15H14FN3O2 — CID 95899843

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C15H14FN3O2/c1-9-13(10(2)20-18-9)8-15-17-14(19-21-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3
InChIKeyCSEARGQMGWDSPL-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.00
Rot. Bonds4

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

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 95899843) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID95899843
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C15H14FN3O2/c1-9-13(10(2)20-18-9)8-15-17-14(19-21-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3
InChIKeyCSEARGQMGWDSPL-UHFFFAOYSA-N
XLogP3.00
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 95899843) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is Cc1noc(C)c1Cc1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is CSEARGQMGWDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-13(10(2)20-18-9)8-15-17-14(19-21-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 287.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95899843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).