3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid

C8H10N2O3 — CID 105439905

IUPAC3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
SMILESNc1noc(C2CCC2)c1C(=O)O
InChIInChI=1S/C8H10N2O3/c9-7-5(8(11)12)6(13-10-7)4-2-1-3-4/h4H,1-3H2,(H2,9,10)(H,11,12)
InChIKeyWXZJROUCDKJYJJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.22
Rot. Bonds2

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

3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid (PubChem CID 105439905) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
PubChem CID105439905
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
SMILESNc1noc(C2CCC2)c1C(=O)O
InChIInChI=1S/C8H10N2O3/c9-7-5(8(11)12)6(13-10-7)4-2-1-3-4/h4H,1-3H2,(H2,9,10)(H,11,12)
InChIKeyWXZJROUCDKJYJJ-UHFFFAOYSA-N
XLogP1.22
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 105450484
5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821236
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
CID 113390704
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
CID 105465745
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
5-cyclooctyl-4-propan-2-yl-1,2-oxazol-3-amine
CID 113490792
3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
CID 131558836
5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 134284360
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid (CID 105439905) is 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid is Nc1noc(C2CCC2)c1C(=O)O.
What is the InChIKey of 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is WXZJROUCDKJYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-7-5(8(11)12)6(13-10-7)4-2-1-3-4/h4H,1-3H2,(H2,9,10)(H,11,12).
What are the key properties of 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid?
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 105439905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).