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

C11H16N2O4 — CID 80538543

IUPAC4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCc1noc(C)c1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-6(11(15)16)4-5-12-10(14)9-7(2)13-17-8(9)3/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyCBTDZMJGCPIXAA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.13
Rot. Bonds5

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

4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80538543) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80538543
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCc1noc(C)c1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-6(11(15)16)4-5-12-10(14)9-7(2)13-17-8(9)3/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyCBTDZMJGCPIXAA-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 120829752
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
CID 43406076
7-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 70157795
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
5-ethyl-N-(3-hydroxy-4-methylpentyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798271
5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 99855966
N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid (CID 80538543) is 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid is Cc1noc(C)c1C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is CBTDZMJGCPIXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(11(15)16)4-5-12-10(14)9-7(2)13-17-8(9)3/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid?
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).