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

C21H15FN2O2 — CID 171978605

IUPAC1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
SMILESCOc1ccc(-c2nc3cc(/N=C/c4ccccc4F)ccc3o2)cc1
InChIInChI=1S/C21H15FN2O2/c1-25-17-9-6-14(7-10-17)21-24-19-12-16(8-11-20(19)26-21)23-13-15-4-2-3-5-18(15)22/h2-13H,1H3/b23-13+
InChIKeyMNOAYOZLDAIFMC-YDZHTSKRSA-N
MW346.36 g/mol
LogP5.39
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine (PubChem CID 171978605) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
PubChem CID171978605
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
SMILESCOc1ccc(-c2nc3cc(/N=C/c4ccccc4F)ccc3o2)cc1
InChIInChI=1S/C21H15FN2O2/c1-25-17-9-6-14(7-10-17)21-24-19-12-16(8-11-20(19)26-21)23-13-15-4-2-3-5-18(15)22/h2-13H,1H3/b23-13+
InChIKeyMNOAYOZLDAIFMC-YDZHTSKRSA-N
XLogP5.39
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.39
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

2-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 683653
2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate
CID 7452517
4-bromo-2-methoxy-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1121877
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
2-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 4183148
2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1101456
4-bromo-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 1085266
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 3499921
2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3996670
2-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 135810564

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine (CID 171978605) is 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine is COc1ccc(-c2nc3cc(/N=C/c4ccccc4F)ccc3o2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine?
The InChIKey is MNOAYOZLDAIFMC-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-25-17-9-6-14(7-10-17)21-24-19-12-16(8-11-20(19)26-21)23-13-15-4-2-3-5-18(15)22/h2-13H,1H3/b23-13+.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine?
1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine has a molecular weight of 346.36 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine is sourced from PubChem (CID 171978605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).