4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine

C21H20N4O — CID 165416112

IUPAC4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2C=COC=C2)n1
InChIInChI=1S/C21H20N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,12-16H,10-11H2,1H3
InChIKeyJNEJOVLVOKTJKH-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.05
Rot. Bonds5

About 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine

4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine (PubChem CID 165416112) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine.

Molecular Properties

Compound Name4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine
PubChem CID165416112
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2C=COC=C2)n1
InChIInChI=1S/C21H20N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,12-16H,10-11H2,1H3
InChIKeyJNEJOVLVOKTJKH-UHFFFAOYSA-N
XLogP4.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
SB 239063
CID 5166
PF-670462
CID 51049607
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
SB-242235
CID 9863367
NS-2710
CID 9863520
FR-79620
CID 10421577
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine?
The IUPAC name of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine (CID 165416112) is 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine.
What is the SMILES notation for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine?
The canonical SMILES for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine is Cn1cc(-c2ccccc2)nc1CCc1cccc(N2C=COC=C2)n1.
What is the InChIKey of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine?
The InChIKey is JNEJOVLVOKTJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,12-16H,10-11H2,1H3.
What are the key properties of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine?
4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine has a molecular weight of 344.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine is sourced from PubChem (CID 165416112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).