4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine

C25H32N4O — CID 143052140

IUPAC4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine
SMILESC=C(Nc1ccc(Nc2ccc(CCCC)cc2)cc1)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C25H32N4O/c1-6-7-8-19-9-11-21(12-10-19)28-22-15-13-20(14-16-22)26-18(2)27-24-17-23(30-29-24)25(3,4)5/h9-17,26,28H,2,6-8H2,1,3-5H3,(H,27,29)
InChIKeyMGCAGEPEEMVBRL-UHFFFAOYSA-N
MW404.56 g/mol
LogP7.05
Rot. Bonds9

About 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine

4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine (PubChem CID 143052140) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine
PubChem CID143052140
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine
SMILESC=C(Nc1ccc(Nc2ccc(CCCC)cc2)cc1)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C25H32N4O/c1-6-7-8-19-9-11-21(12-10-19)28-22-15-13-20(14-16-22)26-18(2)27-24-17-23(30-29-24)25(3,4)5/h9-17,26,28H,2,6-8H2,1,3-5H3,(H,27,29)
InChIKeyMGCAGEPEEMVBRL-UHFFFAOYSA-N
XLogP7.05
TPSA62.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-butylphenyl)thiourea
CID 19687443
1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
CID 143052390
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-ethylphenyl)thiourea
CID 19687440
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
CID 19686941
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
CID 143052329
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine (CID 143052140) is 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine is C=C(Nc1ccc(Nc2ccc(CCCC)cc2)cc1)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine?
The InChIKey is MGCAGEPEEMVBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-6-7-8-19-9-11-21(12-10-19)28-22-15-13-20(14-16-22)26-18(2)27-24-17-23(30-29-24)25(3,4)5/h9-17,26,28H,2,6-8H2,1,3-5H3,(H,27,29).
What are the key properties of 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine?
4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine has a molecular weight of 404.56 g/mol, XLogP of 7.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 143052140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).