N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C17H14N6O2 — CID 9083236

IUPACN-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1
InChIInChI=1S/C17H14N6O2/c18-10-13-5-4-6-14(9-13)19-17(24)11-23-21-16(20-22-23)12-25-15-7-2-1-3-8-15/h1-9H,11-12H2,(H,19,24)
InChIKeyXWNQIEWTSLMOTB-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.76
Rot. Bonds6

About N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 9083236) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID9083236
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1
InChIInChI=1S/C17H14N6O2/c18-10-13-5-4-6-14(9-13)19-17(24)11-23-21-16(20-22-23)12-25-15-7-2-1-3-8-15/h1-9H,11-12H2,(H,19,24)
InChIKeyXWNQIEWTSLMOTB-UHFFFAOYSA-N
XLogP1.76
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyanophenyl)-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-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9148157
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
[2-(3-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677593
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 9083236) is N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is N#Cc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is XWNQIEWTSLMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-10-13-5-4-6-14(9-13)19-17(24)11-23-21-16(20-22-23)12-25-15-7-2-1-3-8-15/h1-9H,11-12H2,(H,19,24).
What are the key properties of N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9083236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).