4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid

C19H20N4O3 — CID 168867293

IUPAC4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESO=C(O)CCCn1nnc(-c2ccc(OCCc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O3/c24-18(25)7-4-13-23-21-19(20-22-23)16-8-10-17(11-9-16)26-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,24,25)
InChIKeyMAFKGFINODRVFE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.83
Rot. Bonds9

About 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid

4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 168867293) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
PubChem CID168867293
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESO=C(O)CCCn1nnc(-c2ccc(OCCc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O3/c24-18(25)7-4-13-23-21-19(20-22-23)16-8-10-17(11-9-16)26-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,24,25)
InChIKeyMAFKGFINODRVFE-UHFFFAOYSA-N
XLogP2.83
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid (CID 168867293) is 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid is O=C(O)CCCn1nnc(-c2ccc(OCCc3ccccc3)cc2)n1.
What is the InChIKey of 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is MAFKGFINODRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(25)7-4-13-23-21-19(20-22-23)16-8-10-17(11-9-16)26-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,24,25).
What are the key properties of 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 168867293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).