2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid

C10H14N2O3 — CID 131187454

IUPAC2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESCC1(C)CC(Nc2nc(C(=O)O)co2)C1
InChIInChI=1S/C10H14N2O3/c1-10(2)3-6(4-10)11-9-12-7(5-15-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGBOMFOIVVWHNML-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid

2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 131187454) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
PubChem CID131187454
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESCC1(C)CC(Nc2nc(C(=O)O)co2)C1
InChIInChI=1S/C10H14N2O3/c1-10(2)3-6(4-10)11-9-12-7(5-15-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGBOMFOIVVWHNML-UHFFFAOYSA-N
XLogP1.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 113377319
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114093594
2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 166288939
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
CID 106213924
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
CID 113377235
2-(4-methylpent-1-yn-3-ylamino)-1,3-oxazole-4-carboxylic acid
CID 130481552
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 114982862
2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
CID 107588927
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid (CID 131187454) is 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid is CC1(C)CC(Nc2nc(C(=O)O)co2)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GBOMFOIVVWHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2)3-6(4-10)11-9-12-7(5-15-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid?
2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 131187454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).