1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone

C17H12N4O3S — CID 2809868

IUPAC1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O3S/c22-13-7-5-12(6-8-13)21-17(18-19-20-21)25-10-14(23)16-9-11-3-1-2-4-15(11)24-16/h1-9,22H,10H2
InChIKeyNAYOAVPEDLXNPF-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.09
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone

1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 2809868) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID2809868
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O3S/c22-13-7-5-12(6-8-13)21-17(18-19-20-21)25-10-14(23)16-9-11-3-1-2-4-15(11)24-16/h1-9,22H,10H2
InChIKeyNAYOAVPEDLXNPF-UHFFFAOYSA-N
XLogP3.09
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone 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 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone (CID 2809868) is 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1ccc(O)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is NAYOAVPEDLXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-13-7-5-12(6-8-13)21-17(18-19-20-21)25-10-14(23)16-9-11-3-1-2-4-15(11)24-16/h1-9,22H,10H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 352.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 2809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).