N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide

C16H21N5O2 — CID 122143714

IUPACN-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide
SMILESCN(Cc1nnn(CCC2CCCO2)n1)C(=O)c1ccccc1
InChIInChI=1S/C16H21N5O2/c1-20(16(22)13-6-3-2-4-7-13)12-15-17-19-21(18-15)10-9-14-8-5-11-23-14/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyRRYBYBVIOXOGAS-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide

N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide (PubChem CID 122143714) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide
PubChem CID122143714
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide
SMILESCN(Cc1nnn(CCC2CCCO2)n1)C(=O)c1ccccc1
InChIInChI=1S/C16H21N5O2/c1-20(16(22)13-6-3-2-4-7-13)12-15-17-19-21(18-15)10-9-14-8-5-11-23-14/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyRRYBYBVIOXOGAS-UHFFFAOYSA-N
XLogP1.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
CID 100668820
3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136423
N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 42818830
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide
CID 95629996
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
CID 119034768
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide (CID 122143714) is N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide is CN(Cc1nnn(CCC2CCCO2)n1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide?
The InChIKey is RRYBYBVIOXOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(16(22)13-6-3-2-4-7-13)12-15-17-19-21(18-15)10-9-14-8-5-11-23-14/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide?
N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide has a molecular weight of 315.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 122143714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).