3,4,5-trimethyl-1,3-oxazol-3-ium

C6H10NO+ — CID 53425121

IUPAC3,4,5-trimethyl-1,3-oxazol-3-ium
SMILESCc1oc[n+](C)c1C
InChIInChI=1S/C6H10NO/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1
InChIKeySWCNONLENQSVNR-UHFFFAOYSA-N
MW112.15 g/mol
LogP0.72
Rot. Bonds

About 3,4,5-trimethyl-1,3-oxazol-3-ium

3,4,5-trimethyl-1,3-oxazol-3-ium (PubChem CID 53425121) has the molecular formula C6H10NO+ and a molecular weight of 112.15 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,3-oxazol-3-ium.

Molecular Properties

Compound Name3,4,5-trimethyl-1,3-oxazol-3-ium
PubChem CID53425121
Molecular FormulaC6H10NO+
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name3,4,5-trimethyl-1,3-oxazol-3-ium
SMILESCc1oc[n+](C)c1C
InChIInChI=1S/C6H10NO/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1
InChIKeySWCNONLENQSVNR-UHFFFAOYSA-N
XLogP0.72
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
4,5-Dimethyloxazole
CID 30214
4-Methyloxazole-5-carbonitrile
CID 70480
Oxazole, 4-(chloromethyl)-5-methyl-
CID 18982975
5-(Chloromethyl)-4-methyl-1,3-oxazole
CID 205485
5-Methyl-1,3-oxazole-4-carbonitrile
CID 67291675
1-(4-Methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 132344081
Oxazole, 4-ethyl-5-methyl
CID 529031
5-(Chloromethyl)-4-methyl-1,3-oxazole hydrochloride
CID 57374638
Methyl 3-(4-methyl-1,3-oxazol-5-yl)prop-2-ynoate
CID 165461759
(4-Methyl-1,3-oxazol-5-yl)methylamine
CID 22708194
4-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 54234857

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,3-oxazol-3-ium?
The IUPAC name of 3,4,5-trimethyl-1,3-oxazol-3-ium (CID 53425121) is 3,4,5-trimethyl-1,3-oxazol-3-ium.
What is the SMILES notation for 3,4,5-trimethyl-1,3-oxazol-3-ium?
The canonical SMILES for 3,4,5-trimethyl-1,3-oxazol-3-ium is Cc1oc[n+](C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1,3-oxazol-3-ium?
The InChIKey is SWCNONLENQSVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1.
What are the key properties of 3,4,5-trimethyl-1,3-oxazol-3-ium?
3,4,5-trimethyl-1,3-oxazol-3-ium has a molecular weight of 112.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1,3-oxazol-3-ium is sourced from PubChem (CID 53425121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).