N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine

C21H16N2O — CID 555899

IUPACN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1ccc2oc(-c3cccc(/N=C/c4ccccc4)c3)nc2c1
InChIInChI=1S/C21H16N2O/c1-15-10-11-20-19(12-15)23-21(24-20)17-8-5-9-18(13-17)22-14-16-6-3-2-4-7-16/h2-14H,1H3/b22-14+
InChIKeyKXKVRXTVGRBADJ-HYARGMPZSA-N
MW312.37 g/mol
LogP5.55
Rot. Bonds3

About N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine

N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 555899) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
PubChem CID555899
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1ccc2oc(-c3cccc(/N=C/c4ccccc4)c3)nc2c1
InChIInChI=1S/C21H16N2O/c1-15-10-11-20-19(12-15)23-21(24-20)17-8-5-9-18(13-17)22-14-16-6-3-2-4-7-16/h2-14H,1H3/b22-14+
InChIKeyKXKVRXTVGRBADJ-HYARGMPZSA-N
XLogP5.55
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 4099153
1-(4-bromo-3-nitrophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 4180598
4-benzyl-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 5222993
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-1-(4-nitrophenyl)methanimine
CID 1040043
3,4-dibromo-6-methoxy-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 5222286
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(5-methylthiophen-2-yl)methanimine
CID 1227593
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
[4-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 2-chlorobenzoate
CID 4669917
2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-bromo-4-methylphenol
CID 4169010
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
1-(3-chloro-4-methoxyphenyl)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 171979627

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine (CID 555899) is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine is Cc1ccc2oc(-c3cccc(/N=C/c4ccccc4)c3)nc2c1.
What is the InChIKey of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is KXKVRXTVGRBADJ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-10-11-20-19(12-15)23-21(24-20)17-8-5-9-18(13-17)22-14-16-6-3-2-4-7-16/h2-14H,1H3/b22-14+.
What are the key properties of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine?
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 312.37 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 555899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).