5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate

C11H12ClNO6 — CID 135082180

IUPAC5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate
SMILESCc1cc(COc2ccccc2)[nH+]o1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H11NO2.ClHO4/c1-9-7-10(12-14-9)8-13-11-5-3-2-4-6-11;2-1(3,4)5/h2-7H,8H2,1H3;(H,2,3,4,5)
InChIKeyBXESETDOZLPHGW-UHFFFAOYSA-N
MW289.67 g/mol
LogP-2.77
Rot. Bonds3

About 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate

5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate (PubChem CID 135082180) has the molecular formula C11H12ClNO6 and a molecular weight of 289.67 g/mol. Its IUPAC name is 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate.

Molecular Properties

Compound Name5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate
PubChem CID135082180
Molecular FormulaC11H12ClNO6
Molecular Weight289.67 g/mol
Exact Mass289.04
IUPAC Name5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate
SMILESCc1cc(COc2ccccc2)[nH+]o1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H11NO2.ClHO4/c1-9-7-10(12-14-9)8-13-11-5-3-2-4-6-11;2-1(3,4)5/h2-7H,8H2,1H3;(H,2,3,4,5)
InChIKeyBXESETDOZLPHGW-UHFFFAOYSA-N
XLogP-2.77
TPSA128.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate
CID 135082041
1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
4-methyl-3-(phenoxymethyl)-1,2-benzoxazol-5-amine
CID 91184510
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
2-chloro-5-(phenoxymethyl)thiophene
CID 60655556

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate?
The IUPAC name of 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate (CID 135082180) is 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate.
What is the SMILES notation for 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate?
The canonical SMILES for 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate is Cc1cc(COc2ccccc2)[nH+]o1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate?
The InChIKey is BXESETDOZLPHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.ClHO4/c1-9-7-10(12-14-9)8-13-11-5-3-2-4-6-11;2-1(3,4)5/h2-7H,8H2,1H3;(H,2,3,4,5).
What are the key properties of 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate?
5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate has a molecular weight of 289.67 g/mol, XLogP of -2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium perchlorate is sourced from PubChem (CID 135082180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).