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

C12H16N2O4 — CID 81361778

IUPAC1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCC2(C(=O)O)CCC2)o1
InChIInChI=1S/C12H16N2O4/c1-7-9(18-8(2)14-7)10(15)13-6-12(11(16)17)4-3-5-12/h3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLYSIQXUXVQYYFV-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.28
Rot. Bonds4

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

1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81361778) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81361778
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCC2(C(=O)O)CCC2)o1
InChIInChI=1S/C12H16N2O4/c1-7-9(18-8(2)14-7)10(15)13-6-12(11(16)17)4-3-5-12/h3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLYSIQXUXVQYYFV-UHFFFAOYSA-N
XLogP1.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic 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

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113294868
N-[(1-carbamoylcyclopentyl)methyl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166212342
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543413
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81478748
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81361778) is 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is Cc1nc(C)c(C(=O)NCC2(C(=O)O)CCC2)o1.
What is the InChIKey of 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is LYSIQXUXVQYYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-9(18-8(2)14-7)10(15)13-6-12(11(16)17)4-3-5-12/h3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81361778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).