ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium

C9H17N2O+ — CID 91095029

IUPACethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
SMILESCC[N+](C)(C)Cc1cc(C)on1
InChIInChI=1S/C9H17N2O/c1-5-11(3,4)7-9-6-8(2)12-10-9/h6H,5,7H2,1-4H3/q+1
InChIKeyOVJFRCBGEKKCBO-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.58
Rot. Bonds3

About ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium

ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium (PubChem CID 91095029) has the molecular formula C9H17N2O+ and a molecular weight of 169.25 g/mol. Its IUPAC name is ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
PubChem CID91095029
Molecular FormulaC9H17N2O+
Molecular Weight169.25 g/mol
Exact Mass169.13
IUPAC Nameethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
SMILESCC[N+](C)(C)Cc1cc(C)on1
InChIInChI=1S/C9H17N2O/c1-5-11(3,4)7-9-6-8(2)12-10-9/h6H,5,7H2,1-4H3/q+1
InChIKeyOVJFRCBGEKKCBO-UHFFFAOYSA-N
XLogP1.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 89270748
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3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
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CID 15073752
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CID 43133689
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
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CID 80812986

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium?
The IUPAC name of ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium (CID 91095029) is ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium?
The canonical SMILES for ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium is CC[N+](C)(C)Cc1cc(C)on1.
What is the InChIKey of ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium?
The InChIKey is OVJFRCBGEKKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O/c1-5-11(3,4)7-9-6-8(2)12-10-9/h6H,5,7H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium?
ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium has a molecular weight of 169.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium is sourced from PubChem (CID 91095029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).