2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole

C14H15FN2O3 — CID 154757653

IUPAC2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(C3CCCOC3)o2)ccc1F
InChIInChI=1S/C14H15FN2O3/c1-18-12-7-9(4-5-11(12)15)13-16-17-14(20-13)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyGLZOMEMDNFGRCU-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole

2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole (PubChem CID 154757653) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
PubChem CID154757653
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(C3CCCOC3)o2)ccc1F
InChIInChI=1S/C14H15FN2O3/c1-18-12-7-9(4-5-11(12)15)13-16-17-14(20-13)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyGLZOMEMDNFGRCU-UHFFFAOYSA-N
XLogP2.78
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole (CID 154757653) is 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole is COc1cc(-c2nnc(C3CCCOC3)o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The InChIKey is GLZOMEMDNFGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-18-12-7-9(4-5-11(12)15)13-16-17-14(20-13)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole has a molecular weight of 278.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 154757653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).