3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride

C10H11ClN2O — CID 29221

IUPAC3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride
SMILESCc1cc(-c2cc[n+](C)cc2)on1.[Cl-]
InChIInChI=1S/C10H11N2O.ClH/c1-8-7-10(13-11-8)9-3-5-12(2)6-4-9;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyONWVWQNOTUTWGQ-UHFFFAOYSA-M
MW210.66 g/mol
LogP-1.52
Rot. Bonds1

About 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride

3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride (PubChem CID 29221) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride
PubChem CID29221
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride
SMILESCc1cc(-c2cc[n+](C)cc2)on1.[Cl-]
InChIInChI=1S/C10H11N2O.ClH/c1-8-7-10(13-11-8)9-3-5-12(2)6-4-9;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyONWVWQNOTUTWGQ-UHFFFAOYSA-M
XLogP-1.52
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole
CID 5303784
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
(1E,4E)-1-(5-methyl-1,2-oxazol-3-yl)-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 145976878
5-methyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 866431
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
Pyridinium, 1-(2-methoxyethyl)-4-(3-methyl-5-isoxazolyl)-, chloride
CID 205824
3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
CID 205826
3-Ethyl-5-(1-methylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium chloride
CID 209718
5-(1,3-Dimethylpyridin-4(1H)-ylidene)-3-methyl-5H-1,2-oxazol-1-ium chloride
CID 209720
Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride
CID 209722
Pyridinium, 1-ethyl-4-(3-methyl-5-isoxazolyl)-, iodide
CID 209724
3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
CID 209726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride?
The IUPAC name of 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride (CID 29221) is 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride.
What is the SMILES notation for 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride?
The canonical SMILES for 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride is Cc1cc(-c2cc[n+](C)cc2)on1.[Cl-].
What is the InChIKey of 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride?
The InChIKey is ONWVWQNOTUTWGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N2O.ClH/c1-8-7-10(13-11-8)9-3-5-12(2)6-4-9;/h3-7H,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride?
3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride has a molecular weight of 210.66 g/mol, XLogP of -1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride is sourced from PubChem (CID 29221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).