8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C27H28N4O — CID 143815702

IUPAC8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(C(C)N2CCOc3c(-c4ccc(-n5cnc(C)c5)c(C)c4)ccnc32)cc1
InChIInChI=1S/C27H28N4O/c1-18-5-7-22(8-6-18)21(4)31-13-14-32-26-24(11-12-28-27(26)31)23-9-10-25(19(2)15-23)30-16-20(3)29-17-30/h5-12,15-17,21H,13-14H2,1-4H3
InChIKeyJYUKWFPOLITIGO-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.82
Rot. Bonds4

About 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 143815702) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID143815702
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(C(C)N2CCOc3c(-c4ccc(-n5cnc(C)c5)c(C)c4)ccnc32)cc1
InChIInChI=1S/C27H28N4O/c1-18-5-7-22(8-6-18)21(4)31-13-14-32-26-24(11-12-28-27(26)31)23-9-10-25(19(2)15-23)30-16-20(3)29-17-30/h5-12,15-17,21H,13-14H2,1-4H3
InChIKeyJYUKWFPOLITIGO-UHFFFAOYSA-N
XLogP5.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole
CID 91034197
6-[1-(4-fluorophenyl)ethyl]-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6-azaspiro[3.5]nonan-5-one
CID 58122343
5-[1-(4-fluorophenyl)ethyl]-4-methylidene-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-5-azaspiro[2.5]octane
CID 143857795
5-cyclopropyl-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-one
CID 159585879
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
2-[1-(4-fluorophenyl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58218038
1-[1-(3,4-difluorophenyl)ethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one
CID 58122446
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
6-[1-(3,5-difluorophenyl)ethyl]-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6-azaspiro[3.5]nonan-5-one
CID 58122408
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
(9aS)-4-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-one
CID 122634957
(2Z)-4-[1-(2-chloro-3-fluoro-4-pyridinyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]morpholin-3-one
CID 143467329

Frequently Asked Questions

What is the IUPAC name of 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 143815702) is 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is Cc1ccc(C(C)N2CCOc3c(-c4ccc(-n5cnc(C)c5)c(C)c4)ccnc32)cc1.
What is the InChIKey of 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is JYUKWFPOLITIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-18-5-7-22(8-6-18)21(4)31-13-14-32-26-24(11-12-28-27(26)31)23-9-10-25(19(2)15-23)30-16-20(3)29-17-30/h5-12,15-17,21H,13-14H2,1-4H3.
What are the key properties of 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 424.55 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 143815702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).