N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline

C23H20N2O — CID 25211761

IUPACN-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
SMILESCNc1ccc(/C=C/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O/c1-16-3-14-22-21(15-16)25-23(26-22)19-10-6-17(7-11-19)4-5-18-8-12-20(24-2)13-9-18/h3-15,24H,1-2H3/b5-4+
InChIKeyIKMSRKDLAZISGC-SNAWJCMRSA-N
MW340.43 g/mol
LogP6.02
Rot. Bonds4

About N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline

N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline (PubChem CID 25211761) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
PubChem CID25211761
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
SMILESCNc1ccc(/C=C/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O/c1-16-3-14-22-21(15-16)25-23(26-22)19-10-6-17(7-11-19)4-5-18-8-12-20(24-2)13-9-18/h3-15,24H,1-2H3/b5-4+
InChIKeyIKMSRKDLAZISGC-SNAWJCMRSA-N
XLogP6.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
3-(4-bromophenyl)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine
CID 4038223
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
4-[(E)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
CID 25211870
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline?
The IUPAC name of N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline (CID 25211761) is N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline.
What is the SMILES notation for N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline?
The canonical SMILES for N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline is CNc1ccc(/C=C/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline?
The InChIKey is IKMSRKDLAZISGC-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-3-14-22-21(15-16)25-23(26-22)19-10-6-17(7-11-19)4-5-18-8-12-20(24-2)13-9-18/h3-15,24H,1-2H3/b5-4+.
What are the key properties of N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline?
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline has a molecular weight of 340.43 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline is sourced from PubChem (CID 25211761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).