5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid

C8H11NO4 — CID 61397567

IUPAC5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESCCCOCc1cc(C(=O)O)no1
InChIInChI=1S/C8H11NO4/c1-2-3-12-5-6-4-7(8(10)11)9-13-6/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyZYWIRBUOIOKSPN-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.30
Rot. Bonds5

About 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid

5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397567) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397567
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESCCCOCc1cc(C(=O)O)no1
InChIInChI=1S/C8H11NO4/c1-2-3-12-5-6-4-7(8(10)11)9-13-6/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyZYWIRBUOIOKSPN-UHFFFAOYSA-N
XLogP1.30
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
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-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275

Frequently Asked Questions

What is the IUPAC name of 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 61397567) is 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid is CCCOCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZYWIRBUOIOKSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-12-5-6-4-7(8(10)11)9-13-6/h4H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).