1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one

C24H19FN2O3 — CID 58422748

IUPAC1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-22-12-4-17(5-13-22)15-21(28)14-16-2-6-18(7-3-16)23-26-24(30-27-23)19-8-10-20(25)11-9-19/h2-13H,14-15H2,1H3
InChIKeyUYRNYDJZRSUHBR-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.91
Rot. Bonds7

About 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one

1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one (PubChem CID 58422748) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one
PubChem CID58422748
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-22-12-4-17(5-13-22)15-21(28)14-16-2-6-18(7-3-16)23-26-24(30-27-23)19-8-10-20(25)11-9-19/h2-13H,14-15H2,1H3
InChIKeyUYRNYDJZRSUHBR-UHFFFAOYSA-N
XLogP4.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one (CID 58422748) is 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1.
What is the InChIKey of 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one?
The InChIKey is UYRNYDJZRSUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-29-22-12-4-17(5-13-22)15-21(28)14-16-2-6-18(7-3-16)23-26-24(30-27-23)19-8-10-20(25)11-9-19/h2-13H,14-15H2,1H3.
What are the key properties of 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one?
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one has a molecular weight of 402.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 58422748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).