(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid

C13H14N2O4S — CID 79010933

IUPAC(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-7(2)11(13(17)18)14-12(16)8-6-9(19-15-8)10-4-3-5-20-10/h3-7,11H,1-2H3,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyOCDHEHKWHPKNET-LLVKDONJSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds5

About (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 79010933) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID79010933
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-7(2)11(13(17)18)14-12(16)8-6-9(19-15-8)10-4-3-5-20-10/h3-7,11H,1-2H3,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyOCDHEHKWHPKNET-LLVKDONJSA-N
XLogP2.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic 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

(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 95871145

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 79010933) is (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is OCDHEHKWHPKNET-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-7(2)11(13(17)18)14-12(16)8-6-9(19-15-8)10-4-3-5-20-10/h3-7,11H,1-2H3,(H,14,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79010933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).