4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid

C8H7N5O4 — CID 106394629

IUPAC4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NCc1ncon1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C8H7N5O4/c14-7(9-1-4-12-3-17-13-4)5-6(8(15)16)11-2-10-5/h2-3H,1H2,(H,9,14)(H,10,11)(H,15,16)
InChIKeyKWNVRSJJARXJOM-UHFFFAOYSA-N
MW237.17 g/mol
LogP-0.58
Rot. Bonds4

About 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 106394629) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID106394629
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NCc1ncon1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C8H7N5O4/c14-7(9-1-4-12-3-17-13-4)5-6(8(15)16)11-2-10-5/h2-3H,1H2,(H,9,14)(H,10,11)(H,15,16)
InChIKeyKWNVRSJJARXJOM-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

2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631
4-(pyrimidin-4-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 114110572
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 106394629) is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid is O=C(NCc1ncon1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is KWNVRSJJARXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c14-7(9-1-4-12-3-17-13-4)5-6(8(15)16)11-2-10-5/h2-3H,1H2,(H,9,14)(H,10,11)(H,15,16).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-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 4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 106394629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).