2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C14H10FN3O — CID 53017565

IUPAC2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H10FN3O/c15-12-5-1-3-10(7-12)8-13-17-18-14(19-13)11-4-2-6-16-9-11/h1-7,9H,8H2
InChIKeyCMDMHWYGLFSYFB-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.86
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 53017565) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID53017565
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H10FN3O/c15-12-5-1-3-10(7-12)8-13-17-18-14(19-13)11-4-2-6-16-9-11/h1-7,9H,8H2
InChIKeyCMDMHWYGLFSYFB-UHFFFAOYSA-N
XLogP2.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 53017565) is 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Fc1cccc(Cc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is CMDMHWYGLFSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-5-1-3-10(7-12)8-13-17-18-14(19-13)11-4-2-6-16-9-11/h1-7,9H,8H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 255.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).