3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one

C15H15FN4O3 — CID 146082852

IUPAC3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESCCCc1noc(Cn2c(Cc3ccc(F)cc3)noc2=O)n1
InChIInChI=1S/C15H15FN4O3/c1-2-3-12-17-14(22-18-12)9-20-13(19-23-15(20)21)8-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyACNNJMPAYKNVEG-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.95
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one

3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 146082852) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID146082852
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESCCCc1noc(Cn2c(Cc3ccc(F)cc3)noc2=O)n1
InChIInChI=1S/C15H15FN4O3/c1-2-3-12-17-14(22-18-12)9-20-13(19-23-15(20)21)8-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyACNNJMPAYKNVEG-UHFFFAOYSA-N
XLogP1.95
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one (CID 146082852) is 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one is CCCc1noc(Cn2c(Cc3ccc(F)cc3)noc2=O)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is ACNNJMPAYKNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-2-3-12-17-14(22-18-12)9-20-13(19-23-15(20)21)8-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 318.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).