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

C10H15NO3 — CID 82219971

IUPAC2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCCCCc1nc(CC(=O)O)c(C)o1
InChIInChI=1S/C10H15NO3/c1-3-4-5-9-11-8(6-10(12)13)7(2)14-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyPZJVXSSGQQWIKY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.95
Rot. Bonds5

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

2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 82219971) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid
PubChem CID82219971
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCCCCc1nc(CC(=O)O)c(C)o1
InChIInChI=1S/C10H15NO3/c1-3-4-5-9-11-8(6-10(12)13)7(2)14-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyPZJVXSSGQQWIKY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid (CID 82219971) is 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid is CCCCc1nc(CC(=O)O)c(C)o1.
What is the InChIKey of 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is PZJVXSSGQQWIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-9-11-8(6-10(12)13)7(2)14-9/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 82219971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).