4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

C13H20N2O4 — CID 65284270

IUPAC4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C13H20N2O4/c1-9-8-10(15-19-9)12(18)14-7-6-13(2,3)5-4-11(16)17/h8H,4-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVZHNAZCEWMAJGX-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.99
Rot. Bonds7

About 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (PubChem CID 65284270) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
PubChem CID65284270
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C13H20N2O4/c1-9-8-10(15-19-9)12(18)14-7-6-13(2,3)5-4-11(16)17/h8H,4-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVZHNAZCEWMAJGX-UHFFFAOYSA-N
XLogP1.99
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 65284317
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (CID 65284270) is 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is Cc1cc(C(=O)NCCC(C)(C)CCC(=O)O)no1.
What is the InChIKey of 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The InChIKey is VZHNAZCEWMAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-8-10(15-19-9)12(18)14-7-6-13(2,3)5-4-11(16)17/h8H,4-7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 65284270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).