2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid

C11H16N2O4 — CID 110836127

IUPAC2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1nc(C)c(C)o1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-8(11(15)16)13-9(14)5-10-12-6(2)7(3)17-10/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVJUBSVBFHOSKKO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.81
Rot. Bonds5

About 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid

2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 110836127) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
PubChem CID110836127
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1nc(C)c(C)o1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-8(11(15)16)13-9(14)5-10-12-6(2)7(3)17-10/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVJUBSVBFHOSKKO-UHFFFAOYSA-N
XLogP0.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]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

2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid
CID 110836073
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
CID 110836138
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 114180427
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836460
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid (CID 110836127) is 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1nc(C)c(C)o1)C(=O)O.
What is the InChIKey of 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is VJUBSVBFHOSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-8(11(15)16)13-9(14)5-10-12-6(2)7(3)17-10/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110836127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).