5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

C17H18FN3O2 — CID 126780483

IUPAC5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1noc(CC)c1Cc1nc(-c2ccc(C)c(F)c2)no1
InChIInChI=1S/C17H18FN3O2/c1-4-14-12(15(5-2)22-20-14)9-16-19-17(21-23-16)11-7-6-10(3)13(18)8-11/h6-8H,4-5,9H2,1-3H3
InChIKeyAWZONQDEPLAJNZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.89
Rot. Bonds5

About 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 126780483) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID126780483
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1noc(CC)c1Cc1nc(-c2ccc(C)c(F)c2)no1
InChIInChI=1S/C17H18FN3O2/c1-4-14-12(15(5-2)22-20-14)9-16-19-17(21-23-16)11-7-6-10(3)13(18)8-11/h6-8H,4-5,9H2,1-3H3
InChIKeyAWZONQDEPLAJNZ-UHFFFAOYSA-N
XLogP3.89
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (CID 126780483) is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is CCc1noc(CC)c1Cc1nc(-c2ccc(C)c(F)c2)no1.
What is the InChIKey of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AWZONQDEPLAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-4-14-12(15(5-2)22-20-14)9-16-19-17(21-23-16)11-7-6-10(3)13(18)8-11/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 315.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126780483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).