2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid

C11H16N2O3 — CID 83891676

IUPAC2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid
SMILESCc1cnc(C2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C11H16N2O3/c1-8-6-12-11(16-8)9-2-4-13(5-3-9)7-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyUJFGFOJBJCTTLF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds3

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

2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid (PubChem CID 83891676) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid
PubChem CID83891676
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid
SMILESCc1cnc(C2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C11H16N2O3/c1-8-6-12-11(16-8)9-2-4-13(5-3-9)7-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyUJFGFOJBJCTTLF-UHFFFAOYSA-N
XLogP1.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid (CID 83891676) is 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid is Cc1cnc(C2CCN(CC(=O)O)CC2)o1.
What is the InChIKey of 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid?
The InChIKey is UJFGFOJBJCTTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-12-11(16-8)9-2-4-13(5-3-9)7-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid?
2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83891676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).