N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine

C27H19FN2O2 — CID 3499921

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
SMILESFc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1
InChIInChI=1S/C27H19FN2O2/c28-22-10-8-21(9-11-22)27-30-25-16-23(12-15-26(25)32-27)29-17-19-6-13-24(14-7-19)31-18-20-4-2-1-3-5-20/h1-17H,18H2/b29-17+
InChIKeyKVXMRULGIMMMOH-STBIYBPSSA-N
MW422.46 g/mol
LogP6.96
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine (PubChem CID 3499921) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
PubChem CID3499921
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
SMILESFc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1
InChIInChI=1S/C27H19FN2O2/c28-22-10-8-21(9-11-22)27-30-25-16-23(12-15-26(25)32-27)29-17-19-6-13-24(14-7-19)31-18-20-4-2-1-3-5-20/h1-17H,18H2/b29-17+
InChIKeyKVXMRULGIMMMOH-STBIYBPSSA-N
XLogP6.96
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 4550659
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 135887727
[4-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 4-fluorobenzoate
CID 2265736
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 171978605
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
[4-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 2-chlorobenzoate
CID 3095618
[4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 3098512
2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-diiodophenol
CID 3096685
[4-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-bromobenzoate
CID 5075213

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine (CID 3499921) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine is Fc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine?
The InChIKey is KVXMRULGIMMMOH-STBIYBPSSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-22-10-8-21(9-11-22)27-30-25-16-23(12-15-26(25)32-27)29-17-19-6-13-24(14-7-19)31-18-20-4-2-1-3-5-20/h1-17H,18H2/b29-17+.
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine has a molecular weight of 422.46 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 3499921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).