5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole

C15H16N4O2 — CID 71880558

IUPAC5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole
SMILESc1ccc2oc(-c3nnn(CC4CCCCO4)n3)cc2c1
InChIInChI=1S/C15H16N4O2/c1-2-7-13-11(5-1)9-14(21-13)15-16-18-19(17-15)10-12-6-3-4-8-20-12/h1-2,5,7,9,12H,3-4,6,8,10H2
InChIKeyLPOREQAUUBDAPL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole

5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole (PubChem CID 71880558) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole
PubChem CID71880558
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole
SMILESc1ccc2oc(-c3nnn(CC4CCCCO4)n3)cc2c1
InChIInChI=1S/C15H16N4O2/c1-2-7-13-11(5-1)9-14(21-13)15-16-18-19(17-15)10-12-6-3-4-8-20-12/h1-2,5,7,9,12H,3-4,6,8,10H2
InChIKeyLPOREQAUUBDAPL-UHFFFAOYSA-N
XLogP2.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole 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

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
2H-Tetrazole-2-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-
CID 3022224
2H-Tetrazole-2-acetic acid, 5-(5-(2-methoxyphenyl)-2-furanyl)-
CID 3022226
5-[3,5-Dimethyl-4-[3-(5-methyl-2-furyl)propoxy]phenyl]-2-methyl-tetrazole
CID 5273088
2-[5-(1-benzofuran-2-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
CID 51106625
2-[5-(1-Benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone
CID 51106626
3-[5-(1-Benzofuran-2-yl)tetrazol-2-yl]propanamide
CID 53548250
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 53565160
2-[5-(1-benzofuran-2-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-(1-cyano-1,2-dimethylpropyl)acetamide
CID 53582167
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-methylacetamide
CID 53582780
5-Propyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]furan
CID 15954637
5-Ethyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]furan
CID 15954643

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole (CID 71880558) is 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole is c1ccc2oc(-c3nnn(CC4CCCCO4)n3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole?
The InChIKey is LPOREQAUUBDAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-7-13-11(5-1)9-14(21-13)15-16-18-19(17-15)10-12-6-3-4-8-20-12/h1-2,5,7,9,12H,3-4,6,8,10H2.
What are the key properties of 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole?
5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole has a molecular weight of 284.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole is sourced from PubChem (CID 71880558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).