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

C9H12N2O4 — CID 84678934

IUPAC5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESNc1onc(C(=O)O)c1C1CCOCC1
InChIInChI=1S/C9H12N2O4/c10-8-6(5-1-3-14-4-2-5)7(9(12)13)11-15-8/h5H,1-4,10H2,(H,12,13)
InChIKeyOLGDHSAFRGXCRS-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.85
Rot. Bonds2

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

5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 84678934) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID84678934
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESNc1onc(C(=O)O)c1C1CCOCC1
InChIInChI=1S/C9H12N2O4/c10-8-6(5-1-3-14-4-2-5)7(9(12)13)11-15-8/h5H,1-4,10H2,(H,12,13)
InChIKeyOLGDHSAFRGXCRS-UHFFFAOYSA-N
XLogP0.85
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 105464779
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
CID 105443368
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105464783
3,5-difluoro-4-(oxan-4-yl)aniline;2,2,2-trifluoroacetic acid
CID 175699698
5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 105449623
5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 83529452
3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
CID 171365286
3-amino-5-(oxan-4-yl)benzoic acid
CID 67514172
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid (CID 84678934) is 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid is Nc1onc(C(=O)O)c1C1CCOCC1.
What is the InChIKey of 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OLGDHSAFRGXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-8-6(5-1-3-14-4-2-5)7(9(12)13)11-15-8/h5H,1-4,10H2,(H,12,13).
What are the key properties of 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid?
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 84678934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).