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

C14H12FN3O2 — CID 39805356

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN3O2/c1-8-12(9(2)19-17-8)7-13-16-14(18-20-13)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3
InChIKeyNDBBFIOSENBAOO-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.07
Rot. Bonds3

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

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 39805356) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID39805356
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN3O2/c1-8-12(9(2)19-17-8)7-13-16-14(18-20-13)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3
InChIKeyNDBBFIOSENBAOO-UHFFFAOYSA-N
XLogP3.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.07
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)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 39805356) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1noc(C)c1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is NDBBFIOSENBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-8-12(9(2)19-17-8)7-13-16-14(18-20-13)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3.
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 273.27 g/mol, XLogP of 3.07, 3 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)-1,2,4-oxadiazole is sourced from PubChem (CID 39805356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).