2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C15H19N5O2 — CID 126439740

IUPAC2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(C[C@H]1CCCOC1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H19N5O2/c21-15(9-12-5-4-8-22-11-12)16-10-14-17-18-19-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,21)/t12-/m1/s1
InChIKeyOGVHTRMLBVZBGF-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.10
Rot. Bonds5

About 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 126439740) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID126439740
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(C[C@H]1CCCOC1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H19N5O2/c21-15(9-12-5-4-8-22-11-12)16-10-14-17-18-19-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,21)/t12-/m1/s1
InChIKeyOGVHTRMLBVZBGF-GFCCVEGCSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
CID 138049586
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 99974098
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 125177499
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolane-3-carboxamide
CID 119071240
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
2-(oxan-3-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 118792118

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 126439740) is 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is O=C(C[C@H]1CCCOC1)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is OGVHTRMLBVZBGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(9-12-5-4-8-22-11-12)16-10-14-17-18-19-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,21)/t12-/m1/s1.
What are the key properties of 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 126439740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).