6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid

C15H20N2O4 — CID 65287211

IUPAC6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
SMILESCC(CCNCc1cc(-c2ccco2)on1)CCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-11(4-5-15(18)19)6-7-16-10-12-9-14(21-17-12)13-3-2-8-20-13/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,18,19)
InChIKeyGMJRVUJFBKIIGV-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.92
Rot. Bonds9

About 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid

6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid (PubChem CID 65287211) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
PubChem CID65287211
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
SMILESCC(CCNCc1cc(-c2ccco2)on1)CCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-11(4-5-15(18)19)6-7-16-10-12-9-14(21-17-12)13-3-2-8-20-13/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,18,19)
InChIKeyGMJRVUJFBKIIGV-UHFFFAOYSA-N
XLogP2.92
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid?
The IUPAC name of 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid (CID 65287211) is 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid is CC(CCNCc1cc(-c2ccco2)on1)CCC(=O)O.
What is the InChIKey of 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid?
The InChIKey is GMJRVUJFBKIIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(4-5-15(18)19)6-7-16-10-12-9-14(21-17-12)13-3-2-8-20-13/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,18,19).
What are the key properties of 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid?
6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid is sourced from PubChem (CID 65287211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).