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

C10H15NO3 — CID 84667621

IUPAC4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
SMILESCC(C)c1cnc(CCCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-7(2)8-6-11-9(14-8)4-3-5-10(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyHWFLDBNJHKTHFI-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.21
Rot. Bonds5

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

4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid (PubChem CID 84667621) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
PubChem CID84667621
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
SMILESCC(C)c1cnc(CCCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-7(2)8-6-11-9(14-8)4-3-5-10(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyHWFLDBNJHKTHFI-UHFFFAOYSA-N
XLogP2.21
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid (CID 84667621) is 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid is CC(C)c1cnc(CCCC(=O)O)o1.
What is the InChIKey of 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid?
The InChIKey is HWFLDBNJHKTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)8-6-11-9(14-8)4-3-5-10(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid?
4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid has a molecular weight of 197.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid is sourced from PubChem (CID 84667621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).