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

C11H8FN5O — CID 62944967

IUPAC5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ncn[nH]3)no2)c1
InChIInChI=1S/C11H8FN5O/c12-8-3-1-2-7(4-8)5-9-15-11(17-18-9)10-13-6-14-16-10/h1-4,6H,5H2,(H,13,14,16)
InChIKeyFLXXQAKJFIPBBG-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.58
Rot. Bonds3

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

5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62944967) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62944967
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ncn[nH]3)no2)c1
InChIInChI=1S/C11H8FN5O/c12-8-3-1-2-7(4-8)5-9-15-11(17-18-9)10-13-6-14-16-10/h1-4,6H,5H2,(H,13,14,16)
InChIKeyFLXXQAKJFIPBBG-UHFFFAOYSA-N
XLogP1.58
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944633
3-[2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340180
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 63049328
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201269
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62944967) is 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Fc1cccc(Cc2nc(-c3ncn[nH]3)no2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FLXXQAKJFIPBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-8-3-1-2-7(4-8)5-9-15-11(17-18-9)10-13-6-14-16-10/h1-4,6H,5H2,(H,13,14,16).
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 245.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62944967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).