5-(1,2-oxazol-3-yl)pentanoic acid

C8H11NO3 — CID 174347954

IUPAC5-(1,2-oxazol-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccon1
InChIInChI=1S/C8H11NO3/c10-8(11)4-2-1-3-7-5-6-12-9-7/h5-6H,1-4H2,(H,10,11)
InChIKeyJBBUYKGYWDGQGF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.47
Rot. Bonds5

About 5-(1,2-oxazol-3-yl)pentanoic acid

5-(1,2-oxazol-3-yl)pentanoic acid (PubChem CID 174347954) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-3-yl)pentanoic acid
PubChem CID174347954
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-(1,2-oxazol-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccon1
InChIInChI=1S/C8H11NO3/c10-8(11)4-2-1-3-7-5-6-12-9-7/h5-6H,1-4H2,(H,10,11)
InChIKeyJBBUYKGYWDGQGF-UHFFFAOYSA-N
XLogP1.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
CID 57052776
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274113
6-(1,2-oxazol-3-yl)-7-oxohept-5-enoic acid
CID 57218365
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
5-pyrazin-2-ylpentanoic acid
CID 22934386
10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
CID 151312840
(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate
CID 174614806

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)pentanoic acid?
The IUPAC name of 5-(1,2-oxazol-3-yl)pentanoic acid (CID 174347954) is 5-(1,2-oxazol-3-yl)pentanoic acid.
What is the SMILES notation for 5-(1,2-oxazol-3-yl)pentanoic acid?
The canonical SMILES for 5-(1,2-oxazol-3-yl)pentanoic acid is O=C(O)CCCCc1ccon1.
What is the InChIKey of 5-(1,2-oxazol-3-yl)pentanoic acid?
The InChIKey is JBBUYKGYWDGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-8(11)4-2-1-3-7-5-6-12-9-7/h5-6H,1-4H2,(H,10,11).
What are the key properties of 5-(1,2-oxazol-3-yl)pentanoic acid?
5-(1,2-oxazol-3-yl)pentanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-yl)pentanoic acid is sourced from PubChem (CID 174347954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).