3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide

C14H17N5O2 — CID 75767622

IUPAC3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCn1nnnc1-c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H17N5O2/c1-19-13(16-17-18-19)10-4-2-5-11(8-10)14(20)15-9-12-6-3-7-21-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,20)
InChIKeyMHVZVAIKHLXVCE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.79
Rot. Bonds4

About 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide

3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 75767622) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID75767622
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCn1nnnc1-c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H17N5O2/c1-19-13(16-17-18-19)10-4-2-5-11(8-10)14(20)15-9-12-6-3-7-21-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,20)
InChIKeyMHVZVAIKHLXVCE-UHFFFAOYSA-N
XLogP0.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95097052
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 75767622) is 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide is Cn1nnnc1-c1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MHVZVAIKHLXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-13(16-17-18-19)10-4-2-5-11(8-10)14(20)15-9-12-6-3-7-21-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,20).
What are the key properties of 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide?
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 75767622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).