N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine

C20H22N4O2 — CID 91316983

IUPACN,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-24(2)11-12-25-19-9-3-16(4-10-19)13-22-23-18-7-5-17(6-8-18)20-14-21-15-26-20/h3-10,14-15H,11-13H2,1-2H3/b23-22+
InChIKeySLNFNMPKIUNSKP-GHVJWSGMSA-N
MW350.42 g/mol
LogP4.57
Rot. Bonds8

About N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine (PubChem CID 91316983) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine
PubChem CID91316983
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-24(2)11-12-25-19-9-3-16(4-10-19)13-22-23-18-7-5-17(6-8-18)20-14-21-15-26-20/h3-10,14-15H,11-13H2,1-2H3/b23-22+
InChIKeySLNFNMPKIUNSKP-GHVJWSGMSA-N
XLogP4.57
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
CID 112758541
6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine
CID 118687531
N-ethyl-N-methyl-4-(1,3-oxazol-5-yl)aniline
CID 143735141
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
CID 101017326

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine (CID 91316983) is N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine is CN(C)CCOc1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine?
The InChIKey is SLNFNMPKIUNSKP-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(2)11-12-25-19-9-3-16(4-10-19)13-22-23-18-7-5-17(6-8-18)20-14-21-15-26-20/h3-10,14-15H,11-13H2,1-2H3/b23-22+.
What are the key properties of N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine has a molecular weight of 350.42 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine is sourced from PubChem (CID 91316983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).