[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene

C21H30N4O2 — CID 158086149

IUPAC[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene
SMILESCC(C)Cc1ccc(C(C)c2cc(C/N=N/CN3CCOCC3)no2)cc1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-18-4-6-19(7-5-18)17(3)21-13-20(24-27-21)14-22-23-15-25-8-10-26-11-9-25/h4-7,13,16-17H,8-12,14-15H2,1-3H3/b23-22+
InChIKeyNUJPTTWTZSYAMH-GHVJWSGMSA-N
MW370.50 g/mol
LogP4.27
Rot. Bonds8

About [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene

[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene (PubChem CID 158086149) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene.

Molecular Properties

Compound Name[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene
PubChem CID158086149
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene
SMILESCC(C)Cc1ccc(C(C)c2cc(C/N=N/CN3CCOCC3)no2)cc1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-18-4-6-19(7-5-18)17(3)21-13-20(24-27-21)14-22-23-15-25-8-10-26-11-9-25/h4-7,13,16-17H,8-12,14-15H2,1-3H3/b23-22+
InChIKeyNUJPTTWTZSYAMH-GHVJWSGMSA-N
XLogP4.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene?
The IUPAC name of [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene (CID 158086149) is [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene.
What is the SMILES notation for [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene?
The canonical SMILES for [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene is CC(C)Cc1ccc(C(C)c2cc(C/N=N/CN3CCOCC3)no2)cc1.
What is the InChIKey of [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene?
The InChIKey is NUJPTTWTZSYAMH-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)12-18-4-6-19(7-5-18)17(3)21-13-20(24-27-21)14-22-23-15-25-8-10-26-11-9-25/h4-7,13,16-17H,8-12,14-15H2,1-3H3/b23-22+.
What are the key properties of [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene?
[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene has a molecular weight of 370.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene is sourced from PubChem (CID 158086149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).