2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

C9H9F3N2O4 — CID 175450741

IUPAC2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)NC(C)C(=O)O)noc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-3-5(7(15)13-4(2)8(16)17)14-18-6(3)9(10,11)12/h4H,1-2H3,(H,13,15)(H,16,17)
InChIKeyNZLYGIVKFANBFK-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.20
Rot. Bonds3

About 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (PubChem CID 175450741) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
PubChem CID175450741
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)NC(C)C(=O)O)noc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-3-5(7(15)13-4(2)8(16)17)14-18-6(3)9(10,11)12/h4H,1-2H3,(H,13,15)(H,16,17)
InChIKeyNZLYGIVKFANBFK-UHFFFAOYSA-N
XLogP1.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-cyclopentyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589831
N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589872
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118742892
5-ethyl-4-(fluoromethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027564
5-ethyl-4-(1-fluoroethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132027566
5-ethyl-4-(fluoromethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132027570
5-ethyl-4-(1-fluoroethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027573

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (CID 175450741) is 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is Cc1c(C(=O)NC(C)C(=O)O)noc1C(F)(F)F.
What is the InChIKey of 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The InChIKey is NZLYGIVKFANBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-3-5(7(15)13-4(2)8(16)17)14-18-6(3)9(10,11)12/h4H,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid has a molecular weight of 266.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 175450741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).