2-[4-(tetrazol-1-yl)phenoxy]acetamide

C9H9N5O2 — CID 817506

IUPAC2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-7(2-4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15)
InChIKeyGCMVZWZLMVMYSB-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.47
Rot. Bonds4

About 2-[4-(tetrazol-1-yl)phenoxy]acetamide

2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 817506) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID817506
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-7(2-4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15)
InChIKeyGCMVZWZLMVMYSB-UHFFFAOYSA-N
XLogP-0.47
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
4-methoxy-3-(1H-tetrazol-1-yl)aniline
CID 16193800
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(3,4-Dimethyl-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 886651
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
N-(3-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
1-(4-Butoxy-phenyl)-1H-[1,2,4]triazole
CID 11458616
N-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
2-(4-(1H-Tetrazol-1-yl)phenoxy)propanoic acid
CID 6485344
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 817506) is 2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]acetamide is NC(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is GCMVZWZLMVMYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-7(2-4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15).
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]acetamide?
2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 219.20 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 817506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).