2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid

C11H17NO3 — CID 112710297

IUPAC2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid
SMILESCCC(Cc1cc(C(C)C)on1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-4-8(11(13)14)5-9-6-10(7(2)3)15-12-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyLDGYIXIRVPEPKI-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.45
Rot. Bonds5

About 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid

2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid (PubChem CID 112710297) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid
PubChem CID112710297
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid
SMILESCCC(Cc1cc(C(C)C)on1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-4-8(11(13)14)5-9-6-10(7(2)3)15-12-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyLDGYIXIRVPEPKI-UHFFFAOYSA-N
XLogP2.45
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 83828594
2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 83828593
3-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]propanoic acid
CID 25248496
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 61335876
N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 126550901
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
CID 114420316
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 126443920
2-[(6-methyl-1,3-benzodioxol-5-yl)methyl]butanoic acid
CID 116930667
2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 112716588
2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine
CID 82399395
2-[(4-propan-2-yloxyphenyl)methyl]butanoic acid
CID 116930626

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid (CID 112710297) is 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid is CCC(Cc1cc(C(C)C)on1)C(=O)O.
What is the InChIKey of 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid?
The InChIKey is LDGYIXIRVPEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-8(11(13)14)5-9-6-10(7(2)3)15-12-9/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid?
2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 112710297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).