5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole

C19H16FN7O2 — CID 135246222

IUPAC5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
SMILESCOCC1=C(c2nc(-c3ccc4[nH]ncc4c3)no2)NNN1c1ccccc1F
InChIInChI=1S/C19H16FN7O2/c1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h2-9,24,26H,10H2,1H3,(H,21,23)
InChIKeyVIPXILWNZPHPOH-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.60
Rot. Bonds5

About 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole

5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole (PubChem CID 135246222) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
PubChem CID135246222
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
SMILESCOCC1=C(c2nc(-c3ccc4[nH]ncc4c3)no2)NNN1c1ccccc1F
InChIInChI=1S/C19H16FN7O2/c1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h2-9,24,26H,10H2,1H3,(H,21,23)
InChIKeyVIPXILWNZPHPOH-UHFFFAOYSA-N
XLogP2.60
TPSA104.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole (CID 135246222) is 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole is COCC1=C(c2nc(-c3ccc4[nH]ncc4c3)no2)NNN1c1ccccc1F.
What is the InChIKey of 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is VIPXILWNZPHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h2-9,24,26H,10H2,1H3,(H,21,23).
What are the key properties of 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 393.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-4-(methoxymethyl)-1,2-dihydrotriazol-5-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 135246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).