5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid

C11H17NO5 — CID 112586972

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OCCOCc1cc(C(=O)O)no1
InChIInChI=1S/C11H17NO5/c1-11(2,3)16-5-4-15-7-8-6-9(10(13)14)12-17-8/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyCPLGXUQMYCDZAO-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.70
Rot. Bonds6

About 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 112586972) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID112586972
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OCCOCc1cc(C(=O)O)no1
InChIInChI=1S/C11H17NO5/c1-11(2,3)16-5-4-15-7-8-6-9(10(13)14)12-17-8/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyCPLGXUQMYCDZAO-UHFFFAOYSA-N
XLogP1.70
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264538
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyrimidine-5-carboxylic acid
CID 102973700

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 112586972) is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid is CC(C)(C)OCCOCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is CPLGXUQMYCDZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(2,3)16-5-4-15-7-8-6-9(10(13)14)12-17-8/h6H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 112586972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).