6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid

C13H23N3O3 — CID 65287722

IUPAC6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
SMILESCCc1nc(CNCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C13H23N3O3/c1-4-11-15-10(16-19-11)9-14-8-7-13(2,3)6-5-12(17)18/h14H,4-9H2,1-3H3,(H,17,18)
InChIKeyJVHDEOHZLKLDDO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.00
Rot. Bonds9

About 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid

6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid (PubChem CID 65287722) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
PubChem CID65287722
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
SMILESCCc1nc(CNCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C13H23N3O3/c1-4-11-15-10(16-19-11)9-14-8-7-13(2,3)6-5-12(17)18/h14H,4-9H2,1-3H3,(H,17,18)
InChIKeyJVHDEOHZLKLDDO-UHFFFAOYSA-N
XLogP2.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic 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

4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid
CID 65288860
6-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
CID 65287300
4,4-dimethyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65287090
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid
CID 65287088
6-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methylhexanoic acid
CID 65290103
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
CID 43466334
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid (CID 65287722) is 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid is CCc1nc(CNCCC(C)(C)CCC(=O)O)no1.
What is the InChIKey of 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid?
The InChIKey is JVHDEOHZLKLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-11-15-10(16-19-11)9-14-8-7-13(2,3)6-5-12(17)18/h14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid?
6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).