5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid

C8H7N5O4 — CID 104607434

IUPAC5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O4/c14-7(9-2-6-10-12-13-11-6)5-1-4(3-17-5)8(15)16/h1,3H,2H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChIKeyHYQRESQGIAOGHO-UHFFFAOYSA-N
MW237.17 g/mol
LogP-0.58
Rot. Bonds4

About 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid

5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607434) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607434
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O4/c14-7(9-2-6-10-12-13-11-6)5-1-4(3-17-5)8(15)16/h1,3H,2H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChIKeyHYQRESQGIAOGHO-UHFFFAOYSA-N
XLogP-0.58
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615436
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
3,5-dichloro-4-(2H-tetrazol-5-ylmethylcarbamoylamino)benzoic acid
CID 82811352
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
3-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76927218
5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120550524
5-(2H-tetrazol-5-ylmethyl)benzene-1,3-dicarboxylic acid
CID 174731121
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
5-[(3-bromothiophen-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432380

Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid (CID 104607434) is 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCc2nn[nH]n2)c1.
What is the InChIKey of 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is HYQRESQGIAOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c14-7(9-2-6-10-12-13-11-6)5-1-4(3-17-5)8(15)16/h1,3H,2H2,(H,9,14)(H,15,16)(H,10,11,12,13).
What are the key properties of 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid?
5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).