2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

C19H15N7O2 — CID 55921125

IUPAC2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H15N7O2/c27-17(13-26-24-18(23-25-26)14-5-2-1-3-6-14)22-15-7-9-16(10-8-15)28-19-20-11-4-12-21-19/h1-12H,13H2,(H,22,27)
InChIKeyXUPKMGQKYLMPBN-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.56
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 55921125) has the molecular formula C19H15N7O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID55921125
Molecular FormulaC19H15N7O2
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H15N7O2/c27-17(13-26-24-18(23-25-26)14-5-2-1-3-6-14)22-15-7-9-16(10-8-15)28-19-20-11-4-12-21-19/h1-12H,13H2,(H,22,27)
InChIKeyXUPKMGQKYLMPBN-UHFFFAOYSA-N
XLogP2.56
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (CID 55921125) is 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is XUPKMGQKYLMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2/c27-17(13-26-24-18(23-25-26)14-5-2-1-3-6-14)22-15-7-9-16(10-8-15)28-19-20-11-4-12-21-19/h1-12H,13H2,(H,22,27).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 373.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55921125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).