(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one

C18H26N4O3 — CID 95774244

IUPAC(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc([C@@H]2CCCN(C(=O)[C@H](C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C18H26N4O3/c1-5-16-19-17(21-25-16)14-7-6-8-22(10-14)18(23)11(2)9-15-12(3)20-24-13(15)4/h11,14H,5-10H2,1-4H3/t11-,14-/m1/s1
InChIKeyHEBVJDHDIFCZKN-BXUZGUMPSA-N
MW346.43 g/mol
LogP2.82
Rot. Bonds5

About (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 95774244) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID95774244
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc([C@@H]2CCCN(C(=O)[C@H](C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C18H26N4O3/c1-5-16-19-17(21-25-16)14-7-6-8-22(10-14)18(23)11(2)9-15-12(3)20-24-13(15)4/h11,14H,5-10H2,1-4H3/t11-,14-/m1/s1
InChIKeyHEBVJDHDIFCZKN-BXUZGUMPSA-N
XLogP2.82
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
CID 124691233
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 99992838
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 95772529
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95221941
N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
CID 97348611

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 95774244) is (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one is CCc1nc([C@@H]2CCCN(C(=O)[C@H](C)Cc3c(C)noc3C)C2)no1.
What is the InChIKey of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is HEBVJDHDIFCZKN-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-5-16-19-17(21-25-16)14-7-6-8-22(10-14)18(23)11(2)9-15-12(3)20-24-13(15)4/h11,14H,5-10H2,1-4H3/t11-,14-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one?
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 346.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95774244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).