1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene

C19H26N4O5 — CID 149356441

IUPAC1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene
SMILESc1coc(/N=N/c2ccc(N3CCOCCOCCOCCOCC3)cc2)n1
InChIInChI=1S/C19H26N4O5/c1-3-18(4-2-17(1)21-22-19-20-5-8-28-19)23-6-9-24-11-13-26-15-16-27-14-12-25-10-7-23/h1-5,8H,6-7,9-16H2/b22-21+
InChIKeyYHAUHYSPZDSSFL-QURGRASLSA-N
MW390.44 g/mol
LogP2.98
Rot. Bonds3

About 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene

1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene (PubChem CID 149356441) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene.

Molecular Properties

Compound Name1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene
PubChem CID149356441
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene
SMILESc1coc(/N=N/c2ccc(N3CCOCCOCCOCCOCC3)cc2)n1
InChIInChI=1S/C19H26N4O5/c1-3-18(4-2-17(1)21-22-19-20-5-8-28-19)23-6-9-24-11-13-26-15-16-27-14-12-25-10-7-23/h1-5,8H,6-7,9-16H2/b22-21+
InChIKeyYHAUHYSPZDSSFL-QURGRASLSA-N
XLogP2.98
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene?
The IUPAC name of 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene (CID 149356441) is 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene.
What is the SMILES notation for 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene?
The canonical SMILES for 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene is c1coc(/N=N/c2ccc(N3CCOCCOCCOCCOCC3)cc2)n1.
What is the InChIKey of 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene?
The InChIKey is YHAUHYSPZDSSFL-QURGRASLSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-3-18(4-2-17(1)21-22-19-20-5-8-28-19)23-6-9-24-11-13-26-15-16-27-14-12-25-10-7-23/h1-5,8H,6-7,9-16H2/b22-21+.
What are the key properties of 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene?
1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene has a molecular weight of 390.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene is sourced from PubChem (CID 149356441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).