5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

C14H15NO4 — CID 62548376

IUPAC5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCc1ccc(OCc2cc(C(=O)O)no2)cc1
InChIInChI=1S/C14H15NO4/c1-2-3-10-4-6-11(7-5-10)18-9-12-8-13(14(16)17)15-19-12/h4-8H,2-3,9H2,1H3,(H,16,17)
InChIKeyUYFUGGAACFWCSA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.90
Rot. Bonds6

About 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 62548376) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID62548376
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCc1ccc(OCc2cc(C(=O)O)no2)cc1
InChIInChI=1S/C14H15NO4/c1-2-3-10-4-6-11(7-5-10)18-9-12-8-13(14(16)17)15-19-12/h4-8H,2-3,9H2,1H3,(H,16,17)
InChIKeyUYFUGGAACFWCSA-UHFFFAOYSA-N
XLogP2.90
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 90325843
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
N-methyl-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454672
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid (CID 62548376) is 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid is CCCc1ccc(OCc2cc(C(=O)O)no2)cc1.
What is the InChIKey of 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UYFUGGAACFWCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-3-10-4-6-11(7-5-10)18-9-12-8-13(14(16)17)15-19-12/h4-8H,2-3,9H2,1H3,(H,16,17).
What are the key properties of 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 62548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).