acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one

C15H26N2O4 — CID 174645018

IUPACacetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(=O)O.CC(C)(C)C[C@H]1C[C@H](c2cc(=O)[nH]o2)CCN1
InChIInChI=1S/C13H22N2O2.C2H4O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11;1-2(3)4/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m1./s1
InChIKeyIDBTYLRHYXIDGD-DHTOPLTISA-N
MW298.38 g/mol
LogP2.33
Rot. Bonds2

About acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one

acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 174645018) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Nameacetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID174645018
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameacetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(=O)O.CC(C)(C)C[C@H]1C[C@H](c2cc(=O)[nH]o2)CCN1
InChIInChI=1S/C13H22N2O2.C2H4O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11;1-2(3)4/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m1./s1
InChIKeyIDBTYLRHYXIDGD-DHTOPLTISA-N
XLogP2.33
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one 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 acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 174645018) is acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one is CC(=O)O.CC(C)(C)C[C@H]1C[C@H](c2cc(=O)[nH]o2)CCN1.
What is the InChIKey of acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is IDBTYLRHYXIDGD-DHTOPLTISA-N. The full InChI is InChI=1S/C13H22N2O2.C2H4O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11;1-2(3)4/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m1./s1.
What are the key properties of acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 298.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 174645018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).