4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine

C21H25N3O — CID 155563136

IUPAC4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)19-13-11-18(12-14-19)22-15-20-16(3)25-23-21(20)17-9-7-6-8-10-17/h6-14,22H,4-5,15H2,1-3H3
InChIKeyCEFLEINEIXCVHB-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.11
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine (PubChem CID 155563136) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
PubChem CID155563136
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)19-13-11-18(12-14-19)22-15-20-16(3)25-23-21(20)17-9-7-6-8-10-17/h6-14,22H,4-5,15H2,1-3H3
InChIKeyCEFLEINEIXCVHB-UHFFFAOYSA-N
XLogP5.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
CID 90831233
4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 115742858
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
CID 110652066
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
CID 42778874
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
2-[4-(diethylamino)anilino]acetonitrile
CID 63180222
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine (CID 155563136) is 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCc2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine?
The InChIKey is CEFLEINEIXCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-24(5-2)19-13-11-18(12-14-19)22-15-20-16(3)25-23-21(20)17-9-7-6-8-10-17/h6-14,22H,4-5,15H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine has a molecular weight of 335.45 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 155563136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).