2-[3-(tetrazol-1-yl)phenoxy]acetamide

C9H9N5O2 — CID 1140135

IUPAC2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-2-7(4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15)
InChIKeyBYHGQXCMRKNHPK-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.47
Rot. Bonds4

About 2-[3-(tetrazol-1-yl)phenoxy]acetamide

2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 1140135) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID1140135
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-2-7(4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15)
InChIKeyBYHGQXCMRKNHPK-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

3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 40769723
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
1-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 72907199
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 1140135) is 2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(tetrazol-1-yl)phenoxy]acetamide is NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is BYHGQXCMRKNHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-9(15)5-16-8-3-1-2-7(4-8)14-6-11-12-13-14/h1-4,6H,5H2,(H2,10,15).
What are the key properties of 2-[3-(tetrazol-1-yl)phenoxy]acetamide?
2-[3-(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-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 1140135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).