4-(3-methyl-1,2-oxazol-5-yl)butanoic acid

C8H11NO3 — CID 82412955

IUPAC4-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)on1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-9-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyJGDNWRXFTCHCBR-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.39
Rot. Bonds4

About 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid

4-(3-methyl-1,2-oxazol-5-yl)butanoic acid (PubChem CID 82412955) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)butanoic acid
PubChem CID82412955
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)on1
InChIInChI=1S/C8H11NO3/c1-6-5-7(12-9-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyJGDNWRXFTCHCBR-UHFFFAOYSA-N
XLogP1.39
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid (CID 82412955) is 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid is Cc1cc(CCCC(=O)O)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The InChIKey is JGDNWRXFTCHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-5-7(12-9-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
4-(3-methyl-1,2-oxazol-5-yl)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 82412955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).