5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid

C10H10N4O4 — CID 136991756

IUPAC5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1-c1nc(C2CCCO2)no1
InChIInChI=1S/C10H10N4O4/c15-10(16)7-6(11-4-12-7)9-13-8(14-18-9)5-2-1-3-17-5/h4-5H,1-3H2,(H,11,12)(H,15,16)
InChIKeyVEXKTMVHTOBVFS-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.01
Rot. Bonds3

About 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid

5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (PubChem CID 136991756) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
PubChem CID136991756
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1-c1nc(C2CCCO2)no1
InChIInChI=1S/C10H10N4O4/c15-10(16)7-6(11-4-12-7)9-13-8(14-18-9)5-2-1-3-17-5/h4-5H,1-3H2,(H,11,12)(H,15,16)
InChIKeyVEXKTMVHTOBVFS-UHFFFAOYSA-N
XLogP1.01
TPSA114.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021305
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904136
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331224
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991715
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
6-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 65330890
2-fluoro-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331106
2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65331514
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65331281
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
CID 165448964

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (CID 136991756) is 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is O=C(O)c1nc[nH]c1-c1nc(C2CCCO2)no1.
What is the InChIKey of 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The InChIKey is VEXKTMVHTOBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-10(16)7-6(11-4-12-7)9-13-8(14-18-9)5-2-1-3-17-5/h4-5H,1-3H2,(H,11,12)(H,15,16).
What are the key properties of 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 136991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).