6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol

C13H24N2O2 — CID 113428834

IUPAC6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
SMILESCc1noc(C)c1C(C)NCCCCCCO
InChIInChI=1S/C13H24N2O2/c1-10(13-11(2)15-17-12(13)3)14-8-6-4-5-7-9-16/h10,14,16H,4-9H2,1-3H3
InChIKeyMGBCWAVBWLZGHW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.49
Rot. Bonds8

About 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol

6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol (PubChem CID 113428834) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
PubChem CID113428834
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
SMILESCc1noc(C)c1C(C)NCCCCCCO
InChIInChI=1S/C13H24N2O2/c1-10(13-11(2)15-17-12(13)3)14-8-6-4-5-7-9-16/h10,14,16H,4-9H2,1-3H3
InChIKeyMGBCWAVBWLZGHW-UHFFFAOYSA-N
XLogP2.49
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol?
The IUPAC name of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol (CID 113428834) is 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol is Cc1noc(C)c1C(C)NCCCCCCO.
What is the InChIKey of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol?
The InChIKey is MGBCWAVBWLZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(13-11(2)15-17-12(13)3)14-8-6-4-5-7-9-16/h10,14,16H,4-9H2,1-3H3.
What are the key properties of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol?
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol is sourced from PubChem (CID 113428834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).