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

C14H22N2O3 — CID 25248472

IUPAC2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)c1cc(CN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C14H22N2O3/c1-10(2)13-8-12(15-19-13)9-16-5-3-11(4-6-16)7-14(17)18/h8,10-11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBJJNVYBAGWWOAY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.48
Rot. Bonds5

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

2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 25248472) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID25248472
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)c1cc(CN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C14H22N2O3/c1-10(2)13-8-12(15-19-13)9-16-5-3-11(4-6-16)7-14(17)18/h8,10-11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBJJNVYBAGWWOAY-UHFFFAOYSA-N
XLogP2.48
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 25248472) is 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is CC(C)c1cc(CN2CCC(CC(=O)O)CC2)no1.
What is the InChIKey of 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is BJJNVYBAGWWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)13-8-12(15-19-13)9-16-5-3-11(4-6-16)7-14(17)18/h8,10-11H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).