3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

C10H11N3O3 — CID 66129534

IUPAC3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H11N3O3/c1-2-3-13-6-11-5-8(13)7-4-9(10(14)15)16-12-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyKPGJXOTVZXHGHM-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.65
Rot. Bonds4

About 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 66129534) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID66129534
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H11N3O3/c1-2-3-13-6-11-5-8(13)7-4-9(10(14)15)16-12-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyKPGJXOTVZXHGHM-UHFFFAOYSA-N
XLogP1.65
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{4-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-imidazol-1-yl}-benzoic acid
CID 67419925
4-[5-[3-(3-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67420644
4-[4-[3-(3-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67422958
3-(3-Fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117435246
3-[3-Fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117463321
4-{1-[(5-methylisoxazol-3-yl)methyl]-1H-imidazol-2-yl}benzoic acid
CID 56867525
3-(1-Phenyl-1H-imidazol-2-yl)isoxazole-5-carboxylic acid, ethyl ester
CID 6425330
3-(Pyrazin-2-yl)-1,2-oxazole-5-carboxylic acid
CID 57688401
3-(Pyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 63986230
4-[4-(5-Methyl-3-phenyl-isoxazol-4-yl)-imidazol-1-yl]-benzoic acid
CID 67420918
5-[2-Tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 68636480
3-(1-Methyl-5-nitroimidazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 70621367

Frequently Asked Questions

What is the IUPAC name of 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 66129534) is 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is CCCn1cncc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KPGJXOTVZXHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-3-13-6-11-5-8(13)7-4-9(10(14)15)16-12-7/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66129534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).