5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid

C9H12N2O3 — CID 115020549

IUPAC5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(C2CCOC2)nc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(9(12)13)11-8(10-5)6-2-3-14-4-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeySFKAROHUVHKIBC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.92
Rot. Bonds2

About 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid

5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 115020549) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
PubChem CID115020549
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(C2CCOC2)nc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(9(12)13)11-8(10-5)6-2-3-14-4-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeySFKAROHUVHKIBC-UHFFFAOYSA-N
XLogP0.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(thian-4-yl)-1H-imidazole-4-carboxylic acid
CID 115035700
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
CID 115015606
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957
2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582742
5,6-dimethyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106476727
4-bromo-5-methyl-2-(oxan-4-yl)-1H-imidazole
CID 153493525
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
3-methyl-4-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 105464779
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid (CID 115020549) is 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid is Cc1[nH]c(C2CCOC2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is SFKAROHUVHKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7(9(12)13)11-8(10-5)6-2-3-14-4-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid?
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 115020549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).