4-(1,2-oxazol-4-yl)butanoic acid

C7H9NO3 — CID 45099096

IUPAC4-(1,2-oxazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cnoc1
InChIInChI=1S/C7H9NO3/c9-7(10)3-1-2-6-4-8-11-5-6/h4-5H,1-3H2,(H,9,10)
InChIKeyRMFRUIRKHQOZCG-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.08
Rot. Bonds4

About 4-(1,2-oxazol-4-yl)butanoic acid

4-(1,2-oxazol-4-yl)butanoic acid (PubChem CID 45099096) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-4-yl)butanoic acid
PubChem CID45099096
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-(1,2-oxazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cnoc1
InChIInChI=1S/C7H9NO3/c9-7(10)3-1-2-6-4-8-11-5-6/h4-5H,1-3H2,(H,9,10)
InChIKeyRMFRUIRKHQOZCG-UHFFFAOYSA-N
XLogP1.08
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 63644452
4-(6-iodo-3-pyridinyl)butanoic acid
CID 134406109
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
4-[4-(2-oxo-2-pyrazin-2-ylethyl)phenyl]butanoic acid
CID 159253452
4-(3,5-diaminophenyl)butanoic acid
CID 151286992
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
CID 83893919
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
3-(1,2-oxazol-4-ylmethylamino)propanamide
CID 60869054

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-yl)butanoic acid?
The IUPAC name of 4-(1,2-oxazol-4-yl)butanoic acid (CID 45099096) is 4-(1,2-oxazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(1,2-oxazol-4-yl)butanoic acid?
The canonical SMILES for 4-(1,2-oxazol-4-yl)butanoic acid is O=C(O)CCCc1cnoc1.
What is the InChIKey of 4-(1,2-oxazol-4-yl)butanoic acid?
The InChIKey is RMFRUIRKHQOZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)3-1-2-6-4-8-11-5-6/h4-5H,1-3H2,(H,9,10).
What are the key properties of 4-(1,2-oxazol-4-yl)butanoic acid?
4-(1,2-oxazol-4-yl)butanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-yl)butanoic acid is sourced from PubChem (CID 45099096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).