3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid

C11H17NO3 — CID 105464994

IUPAC3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)oc1CC(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)6-9-8(3)12-10(15-9)4-5-11(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyVFSAJRBVRWHLBX-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.20
Rot. Bonds5

About 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid

3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid (PubChem CID 105464994) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid
PubChem CID105464994
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)oc1CC(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)6-9-8(3)12-10(15-9)4-5-11(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyVFSAJRBVRWHLBX-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid (CID 105464994) is 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid is Cc1nc(CCC(=O)O)oc1CC(C)C.
What is the InChIKey of 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is VFSAJRBVRWHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)6-9-8(3)12-10(15-9)4-5-11(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid?
3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 105464994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).