(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine

C25H23N3O2 — CID 102182088

IUPAC(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc([C@@H]2CCOC(c3cccc(C4=N[C@H](c5ccccc5)CCO4)n3)=N2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)20-14-16-29-24(27-20)22-12-7-13-23(26-22)25-28-21(15-17-30-25)19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1
InChIKeyVXFLMAMCKUTGRX-SFTDATJTSA-N
MW397.48 g/mol
LogP4.90
Rot. Bonds4

About (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine

(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 102182088) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID102182088
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc([C@@H]2CCOC(c3cccc(C4=N[C@H](c5ccccc5)CCO4)n3)=N2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)20-14-16-29-24(27-20)22-12-7-13-23(26-22)25-28-21(15-17-30-25)19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1
InChIKeyVXFLMAMCKUTGRX-SFTDATJTSA-N
XLogP4.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine with MolForge

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Launch Full Analysis

Related Compounds

(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
CID 101355290
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
2-(chloromethyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 68922865
copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
CID 11274257
2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 12864648
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
CID 10568003
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154729036
[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
CID 100997915
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine (CID 102182088) is (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine is c1ccc([C@@H]2CCOC(c3cccc(C4=N[C@H](c5ccccc5)CCO4)n3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VXFLMAMCKUTGRX-SFTDATJTSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)20-14-16-29-24(27-20)22-12-7-13-23(26-22)25-28-21(15-17-30-25)19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1.
What are the key properties of (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine?
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 397.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 102182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).