4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid

C24H18N6O3 — CID 68976947

IUPAC4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)n2)cc1
InChIInChI=1S/C24H18N6O3/c31-24(32)18-11-9-17(10-12-18)15-30-28-22(26-29-30)19-7-4-8-20(14-19)23-27-25-21(33-23)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,31,32)
InChIKeyZSQBMZDSOPAKKV-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.73
Rot. Bonds7

About 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid

4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid (PubChem CID 68976947) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid
PubChem CID68976947
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)n2)cc1
InChIInChI=1S/C24H18N6O3/c31-24(32)18-11-9-17(10-12-18)15-30-28-22(26-29-30)19-7-4-8-20(14-19)23-27-25-21(33-23)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,31,32)
InChIKeyZSQBMZDSOPAKKV-UHFFFAOYSA-N
XLogP3.73
TPSA119.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid
CID 143217457
2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 141083060
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153788
2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
CID 68978444
4-[[5-[3-[3-(4-fluorophenoxy)prop-1-ynyl]phenyl]tetrazol-2-yl]methyl]benzoic acid
CID 68979337
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-(4-methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 27914512
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
CID 162138087
2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 8642914

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid?
The IUPAC name of 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid (CID 68976947) is 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2nnc(-c3cccc(-c4nnc(Cc5ccccc5)o4)c3)n2)cc1.
What is the InChIKey of 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid?
The InChIKey is ZSQBMZDSOPAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c31-24(32)18-11-9-17(10-12-18)15-30-28-22(26-29-30)19-7-4-8-20(14-19)23-27-25-21(33-23)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,31,32).
What are the key properties of 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid?
4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid has a molecular weight of 438.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(5-benzyl-1,3,4-oxadiazol-2-yl)phenyl]tetrazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 68976947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).