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

C16H11FN6O — CID 142730337

IUPAC2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)c1
InChIInChI=1S/C16H11FN6O/c17-13-8-4-7-12(9-13)16-20-18-14(24-16)10-23-21-15(19-22-23)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyCBBZGRUTYBWJKE-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.58
Rot. Bonds4

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

2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole (PubChem CID 142730337) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
PubChem CID142730337
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)c1
InChIInChI=1S/C16H11FN6O/c17-13-8-4-7-12(9-13)16-20-18-14(24-16)10-23-21-15(19-22-23)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyCBBZGRUTYBWJKE-UHFFFAOYSA-N
XLogP2.58
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole (CID 142730337) is 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is CBBZGRUTYBWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-13-8-4-7-12(9-13)16-20-18-14(24-16)10-23-21-15(19-22-23)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 322.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142730337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).