N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C17H17N5O2 — CID 9071036

IUPACN-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C17H17N5O2/c23-17(18-11-14-7-3-1-4-8-14)12-22-20-16(19-21-22)13-24-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,23)
InChIKeyPILUBGFWXRRVQA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.57
Rot. Bonds7

About N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 9071036) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID9071036
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C17H17N5O2/c23-17(18-11-14-7-3-1-4-8-14)12-22-20-16(19-21-22)13-24-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,23)
InChIKeyPILUBGFWXRRVQA-UHFFFAOYSA-N
XLogP1.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide 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

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9071492
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
CID 8969759
N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51231033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 9071036) is N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(COc2ccccc2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is PILUBGFWXRRVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(18-11-14-7-3-1-4-8-14)12-22-20-16(19-21-22)13-24-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,23).
What are the key properties of N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9071036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).