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

C12H18N2O4 — CID 82854561

IUPAC5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
SMILESCc1noc(C)c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H18N2O4/c1-7(5-4-6-10(15)16)13-12(17)11-8(2)14-18-9(11)3/h7H,4-6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFMGLEPPFPXLRFB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.66
Rot. Bonds6

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

5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid (PubChem CID 82854561) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
PubChem CID82854561
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
SMILESCc1noc(C)c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H18N2O4/c1-7(5-4-6-10(15)16)13-12(17)11-8(2)14-18-9(11)3/h7H,4-6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFMGLEPPFPXLRFB-UHFFFAOYSA-N
XLogP1.66
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
3,5-dimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 91761818
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 120829752
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99577531
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid (CID 82854561) is 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid is Cc1noc(C)c1C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is FMGLEPPFPXLRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(5-4-6-10(15)16)13-12(17)11-8(2)14-18-9(11)3/h7H,4-6H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82854561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).