(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone

C19H25N3O2 — CID 95139264

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
SMILESCc1noc(C)c1CN[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)24-21-14)13-20-18(16-9-5-3-6-10-16)19(23)22-11-7-4-8-12-22/h3,5-6,9-10,18,20H,4,7-8,11-13H2,1-2H3/t18-/m0/s1
InChIKeyZVFKGVFUDRUQIQ-SFHVURJKSA-N
MW327.43 g/mol
LogP3.13
Rot. Bonds5

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 95139264) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
PubChem CID95139264
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
SMILESCc1noc(C)c1CN[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)24-21-14)13-20-18(16-9-5-3-6-10-16)19(23)22-11-7-4-8-12-22/h3,5-6,9-10,18,20H,4,7-8,11-13H2,1-2H3/t18-/m0/s1
InChIKeyZVFKGVFUDRUQIQ-SFHVURJKSA-N
XLogP3.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate
CID 7270038
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
CID 110286886
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737251
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82140302
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
CID 110354058
(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
CID 52513480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone (CID 95139264) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone is Cc1noc(C)c1CN[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is ZVFKGVFUDRUQIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-17(15(2)24-21-14)13-20-18(16-9-5-3-6-10-16)19(23)22-11-7-4-8-12-22/h3,5-6,9-10,18,20H,4,7-8,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 95139264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).