4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide

C14H13N5O2 — CID 136534799

IUPAC4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H13N5O2/c1-15-14(20)11-6-4-10(5-7-11)9-19-17-13(16-18-19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyQBLYLHYMIFLMGB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.34
Rot. Bonds4

About 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide

4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide (PubChem CID 136534799) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
PubChem CID136534799
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H13N5O2/c1-15-14(20)11-6-4-10(5-7-11)9-19-17-13(16-18-19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyQBLYLHYMIFLMGB-UHFFFAOYSA-N
XLogP1.34
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide;methyl 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoate
CID 160736159
3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide
CID 63641279
5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63579776
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
CID 62025655
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
CID 62566798
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide (CID 136534799) is 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1.
What is the InChIKey of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is QBLYLHYMIFLMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-15-14(20)11-6-4-10(5-7-11)9-19-17-13(16-18-19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20).
What are the key properties of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide?
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 283.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 136534799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).