5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid

C7H10N2O3 — CID 83529452

IUPAC5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)noc1N
InChIInChI=1S/C7H10N2O3/c1-3(2)4-5(7(10)11)9-12-6(4)8/h3H,8H2,1-2H3,(H,10,11)
InChIKeyASJOOPSQCCBIBF-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.08
Rot. Bonds2

About 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid

5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid (PubChem CID 83529452) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
PubChem CID83529452
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)noc1N
InChIInChI=1S/C7H10N2O3/c1-3(2)4-5(7(10)11)9-12-6(4)8/h3H,8H2,1-2H3,(H,10,11)
InChIKeyASJOOPSQCCBIBF-UHFFFAOYSA-N
XLogP1.08
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 105449623
2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84666802
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84657835
5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105483141
4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 82399895
3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid
CID 84668217
5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105450679
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
CID 84678934
5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82082347
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 107001969

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid (CID 83529452) is 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid is CC(C)c1c(C(=O)O)noc1N.
What is the InChIKey of 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The InChIKey is ASJOOPSQCCBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3(2)4-5(7(10)11)9-12-6(4)8/h3H,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83529452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).