4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline

C23H20N4O — CID 71335046

IUPAC4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline
SMILESNc1ccc(C=Cc2nc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C23H20N4O/c24-18-8-1-15(2-9-18)3-14-21-27-22(16-4-10-19(25)11-5-16)23(28-21)17-6-12-20(26)13-7-17/h1-14H,24-26H2
InChIKeyCBTWOYNBBZHGLW-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.93
Rot. Bonds4

About 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline

4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline (PubChem CID 71335046) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline
PubChem CID71335046
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline
SMILESNc1ccc(C=Cc2nc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C23H20N4O/c24-18-8-1-15(2-9-18)3-14-21-27-22(16-4-10-19(25)11-5-16)23(28-21)17-6-12-20(26)13-7-17/h1-14H,24-26H2
InChIKeyCBTWOYNBBZHGLW-UHFFFAOYSA-N
XLogP4.93
TPSA104.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
CID 54488787
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
CID 126495209
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
4-[2-[5-(4-aminophenyl)furan-2-yl]ethenyl]aniline
CID 154398154
4-[2-[4-[(E)-2-[4-[(E)-2-[4-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 58939652
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
4-(2-phenylethenyl)aniline
CID 13265
2-[(E)-2-[(1Z)-buta-1,3-dienoxy]ethenyl]-4,5-diphenyl-1,3-oxazole
CID 135258757
3-[5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-enyl N-hydroxy-N-methylcarbamodithioate
CID 87973347
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline?
The IUPAC name of 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline (CID 71335046) is 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline.
What is the SMILES notation for 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline?
The canonical SMILES for 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline is Nc1ccc(C=Cc2nc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)o2)cc1.
What is the InChIKey of 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline?
The InChIKey is CBTWOYNBBZHGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c24-18-8-1-15(2-9-18)3-14-21-27-22(16-4-10-19(25)11-5-16)23(28-21)17-6-12-20(26)13-7-17/h1-14H,24-26H2.
What are the key properties of 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline?
4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline has a molecular weight of 368.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline is sourced from PubChem (CID 71335046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).