(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile

C18H19N3O2 — CID 129488244

IUPAC(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile
SMILESCC1(C)CCCN(C(=O)c2ocnc2-c2ccccc2)[C@H]1C#N
InChIInChI=1S/C18H19N3O2/c1-18(2)9-6-10-21(14(18)11-19)17(22)16-15(20-12-23-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyGBILBESEVVUQNC-AWEZNQCLSA-N
MW309.37 g/mol
LogP3.50
Rot. Bonds2

About (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile

(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile (PubChem CID 129488244) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile
PubChem CID129488244
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile
SMILESCC1(C)CCCN(C(=O)c2ocnc2-c2ccccc2)[C@H]1C#N
InChIInChI=1S/C18H19N3O2/c1-18(2)9-6-10-21(14(18)11-19)17(22)16-15(20-12-23-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyGBILBESEVVUQNC-AWEZNQCLSA-N
XLogP3.50
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-2-carbonitrile
CID 100655016
ethyl 1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate
CID 110689377
(2S)-3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)acetyl]piperidine-2-carbonitrile
CID 129488339
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 166339033
N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 136536608
N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689389
N-(4-acetamidophenyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689420
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 43421115
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
(6S,7S)-8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124889074
(6R,7R)-8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124889073

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile (CID 129488244) is (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile is CC1(C)CCCN(C(=O)c2ocnc2-c2ccccc2)[C@H]1C#N.
What is the InChIKey of (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile?
The InChIKey is GBILBESEVVUQNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2)9-6-10-21(14(18)11-19)17(22)16-15(20-12-23-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile?
(2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 129488244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).