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

C17H12FN5O2 — CID 53153697

IUPAC2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
InChIInChI=1S/C17H12FN5O2/c1-10-5-6-11(8-12(10)18)17-22-21-15(24-17)9-14-20-16(23-25-14)13-4-2-3-7-19-13/h2-8H,9H2,1H3
InChIKeyKXIZVRIQPYJRPE-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.22
Rot. Bonds4

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

2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53153697) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID53153697
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F
InChIInChI=1S/C17H12FN5O2/c1-10-5-6-11(8-12(10)18)17-22-21-15(24-17)9-14-20-16(23-25-14)13-4-2-3-7-19-13/h2-8H,9H2,1H3
InChIKeyKXIZVRIQPYJRPE-UHFFFAOYSA-N
XLogP3.22
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (CID 53153697) is 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is KXIZVRIQPYJRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-10-5-6-11(8-12(10)18)17-22-21-15(24-17)9-14-20-16(23-25-14)13-4-2-3-7-19-13/h2-8H,9H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 337.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).