N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine

C24H23FN6O2 — CID 143987567

IUPACN-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine
SMILESCc1cn(-c2ccc(/C=C3\OCCN=C3NCCNc3ccc(F)cc3)c3ocnc23)cn1
InChIInChI=1S/C24H23FN6O2/c1-16-13-31(14-29-16)20-7-2-17(23-22(20)30-15-33-23)12-21-24(28-10-11-32-21)27-9-8-26-19-5-3-18(25)4-6-19/h2-7,12-15,26H,8-11H2,1H3,(H,27,28)/b21-12-
InChIKeyWOVRDHXXPJJMBH-MTJSOVHGSA-N
MW446.49 g/mol
LogP3.93
Rot. Bonds6

About N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine

N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine (PubChem CID 143987567) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine
PubChem CID143987567
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine
SMILESCc1cn(-c2ccc(/C=C3\OCCN=C3NCCNc3ccc(F)cc3)c3ocnc23)cn1
InChIInChI=1S/C24H23FN6O2/c1-16-13-31(14-29-16)20-7-2-17(23-22(20)30-15-33-23)12-21-24(28-10-11-32-21)27-9-8-26-19-5-3-18(25)4-6-19/h2-7,12-15,26H,8-11H2,1H3,(H,27,28)/b21-12-
InChIKeyWOVRDHXXPJJMBH-MTJSOVHGSA-N
XLogP3.93
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine with MolForge

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Related Compounds

ethane;(2Z)-N-(4-fluorophenyl)-3-methylidene-2-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-N-propylmorpholin-4-amine
CID 143987880
4-(4-fluorophenyl)-1-methyl-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-1-ium
CID 91476438
N-(4-fluorophenyl)-N'-[(5E)-5-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
CID 143987759
trimethyl-[4-[(9Z)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
CID 46199656
trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
CID 75171793
ethane;2-N-(4-fluorophenyl)-2-N'-[(6Z)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]propane-2,2-diamine
CID 143987491
ethane;(6Z)-N-(4-fluoroanilino)sulfanyl-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydro-1,4-oxazin-5-amine
CID 143987768
N-(4-fluorophenyl)-N'-[(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]methanediamine
CID 143987862
1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline
CID 143987807
[2,6-difluoro-4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-trimethylsilane;(10Z)-5-(4-fluorophenyl)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-[1,4]oxazino[4,3-b][1,2,4]triazepine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;7-[(E)-[4-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-9-ylidene]methyl]-4-(4-methylimidazol-1-yl)-1,3-benzoxazole;pentafluoro-[4-[(10E)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,4,7,8,9-hexahydropyrido[1,2-b][1,2,4]triazepin-5-yl]phenoxy]-λ6-sulfane;pentafluoro-[4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane
CID 159024730
4-[(E)-[4-(4-fluorophenyl)-4,7,7-trimethyl-2,3,6,8-tetrahydropyrido[2,1-c][1,2,4]triazin-9-ylidene]methyl]-7-(4-methylimidazol-1-yl)-1,3-benzoxazole
CID 42609974
[2,6-difluoro-4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,6,7,8-tetrahydropyrido[1,2-b][1,2,4]triazine-2,1'-cyclopropane]-4-yl]phenyl]-trimethylsilane;(9E)-3-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine
CID 159148338

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine (CID 143987567) is N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine is Cc1cn(-c2ccc(/C=C3\OCCN=C3NCCNc3ccc(F)cc3)c3ocnc23)cn1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine?
The InChIKey is WOVRDHXXPJJMBH-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-16-13-31(14-29-16)20-7-2-17(23-22(20)30-15-33-23)12-21-24(28-10-11-32-21)27-9-8-26-19-5-3-18(25)4-6-19/h2-7,12-15,26H,8-11H2,1H3,(H,27,28)/b21-12-.
What are the key properties of N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine?
N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine has a molecular weight of 446.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(6Z)-6-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3-dihydro-1,4-oxazin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 143987567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).