2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C15H19N5O2 — CID 7713076

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C15H19N5O2/c1-11-4-6-12(7-5-11)15-17-19-20(18-15)10-14(21)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyJIYUEEVLLJCOBY-ZDUSSCGKSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds5

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 7713076) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID7713076
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C15H19N5O2/c1-11-4-6-12(7-5-11)15-17-19-20(18-15)10-14(21)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyJIYUEEVLLJCOBY-ZDUSSCGKSA-N
XLogP0.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429464
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3195221
2-(4-chlorophenyl)-2-(N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3180866
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133
(2R)-2-(2,4-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-ylacetamide
CID 1154104
(2S)-2-(2,4-dimethyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-4-ylacetamide
CID 1154107
N-(1,4-dioxan-2-ylmethyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 3213442
(2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1154034
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 7713076) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JIYUEEVLLJCOBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-4-6-12(7-5-11)15-17-19-20(18-15)10-14(21)16-9-13-3-2-8-22-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,21)/t13-/m0/s1.
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7713076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).