[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol

C9H17N3O2 — CID 91009908

IUPAC[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1cc(C(O)NCCN(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-7-6-8(11-14-7)9(13)10-4-5-12(2)3/h6,9-10,13H,4-5H2,1-3H3
InChIKeyJCRXGYQWBKRDOJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.13
Rot. Bonds5

About [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol

[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol (PubChem CID 91009908) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol
PubChem CID91009908
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1cc(C(O)NCCN(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-7-6-8(11-14-7)9(13)10-4-5-12(2)3/h6,9-10,13H,4-5H2,1-3H3
InChIKeyJCRXGYQWBKRDOJ-UHFFFAOYSA-N
XLogP0.13
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol?
The IUPAC name of [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol (CID 91009908) is [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol is Cc1cc(C(O)NCCN(C)C)no1.
What is the InChIKey of [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol?
The InChIKey is JCRXGYQWBKRDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-6-8(11-14-7)9(13)10-4-5-12(2)3/h6,9-10,13H,4-5H2,1-3H3.
What are the key properties of [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol?
[2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol has a molecular weight of 199.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 91009908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).