5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine

C15H10ClN7O — CID 118611393

IUPAC5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3ccc(-c4nn[nH]n4)cc3)o2)cc1
InChIInChI=1S/C15H10ClN7O/c16-11-5-1-10(2-6-11)14-20-21-15(24-14)17-12-7-3-9(4-8-12)13-18-22-23-19-13/h1-8H,(H,17,21)(H,18,19,22,23)
InChIKeyHEUYUNUVJLWFRM-UHFFFAOYSA-N
MW339.75 g/mol
LogP3.31
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine

5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 118611393) has the molecular formula C15H10ClN7O and a molecular weight of 339.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID118611393
Molecular FormulaC15H10ClN7O
Molecular Weight339.75 g/mol
Exact Mass339.06
IUPAC Name5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3ccc(-c4nn[nH]n4)cc3)o2)cc1
InChIInChI=1S/C15H10ClN7O/c16-11-5-1-10(2-6-11)14-20-21-15(24-14)17-12-7-3-9(4-8-12)13-18-22-23-19-13/h1-8H,(H,17,21)(H,18,19,22,23)
InChIKeyHEUYUNUVJLWFRM-UHFFFAOYSA-N
XLogP3.31
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine (CID 118611393) is 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine is Clc1ccc(-c2nnc(Nc3ccc(-c4nn[nH]n4)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HEUYUNUVJLWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN7O/c16-11-5-1-10(2-6-11)14-20-21-15(24-14)17-12-7-3-9(4-8-12)13-18-22-23-19-13/h1-8H,(H,17,21)(H,18,19,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 339.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118611393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).