N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline

C21H16N2O — CID 166918117

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
SMILESC=Cc1ccc(Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C21H16N2O/c1-2-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)21-23-19-5-3-4-6-20(19)24-21/h2-14,22H,1H2
InChIKeyGVTAKMGZRLRMRA-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.88
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline (PubChem CID 166918117) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
PubChem CID166918117
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
SMILESC=Cc1ccc(Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C21H16N2O/c1-2-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)21-23-19-5-3-4-6-20(19)24-21/h2-14,22H,1H2
InChIKeyGVTAKMGZRLRMRA-UHFFFAOYSA-N
XLogP5.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 170267058
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 5243556
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
CID 165081330
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine
CID 15992243
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-ethoxy-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3386884
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline
CID 166918145
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline (CID 166918117) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline is C=Cc1ccc(Nc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline?
The InChIKey is GVTAKMGZRLRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)21-23-19-5-3-4-6-20(19)24-21/h2-14,22H,1H2.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline has a molecular weight of 312.37 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline is sourced from PubChem (CID 166918117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).