3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

C10H11N3O3 — CID 165454713

IUPAC3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-5(2)9-7(10(14)15)8(13-16-9)6-3-11-4-12-6/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeyIKSHRUVZAZSGJY-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.89
Rot. Bonds3

About 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454713) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID165454713
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-5(2)9-7(10(14)15)8(13-16-9)6-3-11-4-12-6/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeyIKSHRUVZAZSGJY-UHFFFAOYSA-N
XLogP1.89
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165449768
3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454708
3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454716
4-(1H-imidazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 55279302
3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 137212082
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
4-(1H-imidazol-5-yl)benzoic acid
CID 18617688
4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 98773604
5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid
CID 96617631
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 165454713) is 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1onc(-c2cnc[nH]2)c1C(=O)O.
What is the InChIKey of 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is IKSHRUVZAZSGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(2)9-7(10(14)15)8(13-16-9)6-3-11-4-12-6/h3-5H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).