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

C11H16N2O4 — CID 110836534

IUPAC3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCc1cc(C(=O)NC(C)(C)CC(=O)O)no1
InChIInChI=1S/C11H16N2O4/c1-4-7-5-8(13-17-7)10(16)12-11(2,3)6-9(14)15/h5H,4,6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyUUZMLLRXPKUZHQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.22
Rot. Bonds5

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

3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 110836534) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID110836534
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCc1cc(C(=O)NC(C)(C)CC(=O)O)no1
InChIInChI=1S/C11H16N2O4/c1-4-7-5-8(13-17-7)10(16)12-11(2,3)6-9(14)15/h5H,4,6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyUUZMLLRXPKUZHQ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 64671499
3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64670553
N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 158921708
N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008946
3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64673044
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369966
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 162165201

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid (CID 110836534) is 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid is CCc1cc(C(=O)NC(C)(C)CC(=O)O)no1.
What is the InChIKey of 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is UUZMLLRXPKUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-7-5-8(13-17-7)10(16)12-11(2,3)6-9(14)15/h5H,4,6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid?
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 110836534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).