(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C21H23N5O — CID 56833560

IUPAC(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1ccc([C@@H]2COCc3nnc(C4CCN(c5ccccn5)CC4)n32)cc1
InChIInChI=1S/C21H23N5O/c1-2-6-16(7-3-1)18-14-27-15-20-23-24-21(26(18)20)17-9-12-25(13-10-17)19-8-4-5-11-22-19/h1-8,11,17-18H,9-10,12-15H2/t18-/m0/s1
InChIKeyZMBGUYIPBLYUSO-SFHVURJKSA-N
MW361.45 g/mol
LogP3.18
Rot. Bonds3

About (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 56833560) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID56833560
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1ccc([C@@H]2COCc3nnc(C4CCN(c5ccccn5)CC4)n32)cc1
InChIInChI=1S/C21H23N5O/c1-2-6-16(7-3-1)18-14-27-15-20-23-24-21(26(18)20)17-9-12-25(13-10-17)19-8-4-5-11-22-19/h1-8,11,17-18H,9-10,12-15H2/t18-/m0/s1
InChIKeyZMBGUYIPBLYUSO-SFHVURJKSA-N
XLogP3.18
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine with MolForge

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Launch Full Analysis

Related Compounds

3-(1-pyridin-2-ylpiperidin-4-yl)-8-oxa-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaene
CID 21064011
2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10068937
2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10001983
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 22017589
[(6R)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128148
[(6S)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128147
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 91381963
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 56833560) is (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is c1ccc([C@@H]2COCc3nnc(C4CCN(c5ccccn5)CC4)n32)cc1.
What is the InChIKey of (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is ZMBGUYIPBLYUSO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-6-16(7-3-1)18-14-27-15-20-23-24-21(26(18)20)17-9-12-25(13-10-17)19-8-4-5-11-22-19/h1-8,11,17-18H,9-10,12-15H2/t18-/m0/s1.
What are the key properties of (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
(5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 361.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-3-(1-pyridin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 56833560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).