[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)

C14H15N2O3Rb — CID 145086257

IUPAC[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
SMILESCc1ccc(-c2nc(COCC([NH-])=O)c(C)o2)cc1.[Rb+]
InChIInChI=1S/C14H16N2O3.Rb/c1-9-3-5-11(6-4-9)14-16-12(10(2)19-14)7-18-8-13(15)17;/h3-6H,7-8H2,1-2H3,(H2,15,17);/q;+1/p-1
InChIKeyPOFJINRXINITFM-UHFFFAOYSA-M
MW344.75 g/mol
LogP0.06
Rot. Bonds5

About [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)

[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) (PubChem CID 145086257) has the molecular formula C14H15N2O3Rb and a molecular weight of 344.75 g/mol. Its IUPAC name is [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+).

Molecular Properties

Compound Name[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
PubChem CID145086257
Molecular FormulaC14H15N2O3Rb
Molecular Weight344.75 g/mol
Exact Mass344.02
IUPAC Name[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
SMILESCc1ccc(-c2nc(COCC([NH-])=O)c(C)o2)cc1.[Rb+]
InChIInChI=1S/C14H16N2O3.Rb/c1-9-3-5-11(6-4-9)14-16-12(10(2)19-14)7-18-8-13(15)17;/h3-6H,7-8H2,1-2H3,(H2,15,17);/q;+1/p-1
InChIKeyPOFJINRXINITFM-UHFFFAOYSA-M
XLogP0.06
TPSA76.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) with MolForge

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Related Compounds

[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide
CID 145086226
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
CID 159594822
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]ethanone;tris(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]ethanone)
CID 158772988
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
methyl 3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexane-1-carboxylate
CID 58934129
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one
CID 162010824

Frequently Asked Questions

What is the IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)?
The IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) (CID 145086257) is [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+).
What is the SMILES notation for [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)?
The canonical SMILES for [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) is Cc1ccc(-c2nc(COCC([NH-])=O)c(C)o2)cc1.[Rb+].
What is the InChIKey of [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)?
The InChIKey is POFJINRXINITFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O3.Rb/c1-9-3-5-11(6-4-9)14-16-12(10(2)19-14)7-18-8-13(15)17;/h3-6H,7-8H2,1-2H3,(H2,15,17);/q;+1/p-1.
What are the key properties of [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)?
[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) has a molecular weight of 344.75 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+) is sourced from PubChem (CID 145086257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).