(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

C19H23N5O3 — CID 95217052

IUPAC(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCCc1cc(CN2C(=O)N[C@@](c3cccnc3)(C3CCNCC3)C2=O)on1
InChIInChI=1S/C19H23N5O3/c1-2-15-10-16(27-23-15)12-24-17(25)19(22-18(24)26,13-5-8-20-9-6-13)14-4-3-7-21-11-14/h3-4,7,10-11,13,20H,2,5-6,8-9,12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyKGOLZSVFASAEPM-LJQANCHMSA-N
MW369.43 g/mol
LogP1.58
Rot. Bonds5

About (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 95217052) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID95217052
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCCc1cc(CN2C(=O)N[C@@](c3cccnc3)(C3CCNCC3)C2=O)on1
InChIInChI=1S/C19H23N5O3/c1-2-15-10-16(27-23-15)12-24-17(25)19(22-18(24)26,13-5-8-20-9-6-13)14-4-3-7-21-11-14/h3-4,7,10-11,13,20H,2,5-6,8-9,12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyKGOLZSVFASAEPM-LJQANCHMSA-N
XLogP1.58
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95196915
(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95200931
(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42367924
(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42432053
5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione
CID 56717771
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45170309
5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45183126
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
(5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 26279266
(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42435547

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (CID 95217052) is (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is CCc1cc(CN2C(=O)N[C@@](c3cccnc3)(C3CCNCC3)C2=O)on1.
What is the InChIKey of (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is KGOLZSVFASAEPM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-15-10-16(27-23-15)12-24-17(25)19(22-18(24)26,13-5-8-20-9-6-13)14-4-3-7-21-11-14/h3-4,7,10-11,13,20H,2,5-6,8-9,12H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).