3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

C10H14N2O4 — CID 110836475

IUPAC3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1onc(C(=O)NC(C)CC(=O)O)c1C
InChIInChI=1S/C10H14N2O4/c1-5(4-8(13)14)11-10(15)9-6(2)7(3)16-12-9/h5H,4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyYTAQPYOWYQGXPS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.88
Rot. Bonds4

About 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 110836475) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID110836475
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1onc(C(=O)NC(C)CC(=O)O)c1C
InChIInChI=1S/C10H14N2O4/c1-5(4-8(13)14)11-10(15)9-6(2)7(3)16-12-9/h5H,4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyYTAQPYOWYQGXPS-UHFFFAOYSA-N
XLogP0.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
3-(3,4-dimethyl-7-oxoisoxazolo[3,4-d]pyridazin-6(7H)-yl)propanoic acid
CID 10681338
4-(3,4-Dimethyl-7-oxo-7H-isoxazolo[3,4-d]pyridazin-6-yl)-butyric acid
CID 10682160
(3,4-Dimethyl-7-oxo-7H-isoxazolo[3,4-d]pyridazin-6-yl)-acetic acid
CID 10822956
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
4-[2-[Acetyl(hydroxy)amino]ethyl]-5-methyl-isoxazole-3-carboxylic acid
CID 56680429
N-cyclopentyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589831
5-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]-1,5-diazacycloundecan-2-one
CID 110201431
2-(Dimethyl-1,2-oxazol-4-yl)-1-(piperazin-1-yl)ethan-1-one
CID 16228155
N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589872
N-cyclooctyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30272721

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 110836475) is 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1onc(C(=O)NC(C)CC(=O)O)c1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is YTAQPYOWYQGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5(4-8(13)14)11-10(15)9-6(2)7(3)16-12-9/h5H,4H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).