[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene

C16H14N4O — CID 90759213

IUPAC[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene
SMILESCC(/N=N/c1ccc(-c2cnco2)cc1)c1ccncc1
InChIInChI=1S/C16H14N4O/c1-12(13-6-8-17-9-7-13)19-20-15-4-2-14(3-5-15)16-10-18-11-21-16/h2-12H,1H3/b20-19+
InChIKeyCMSKAVNGPGRVGH-FMQUCBEESA-N
MW278.31 g/mol
LogP4.58
Rot. Bonds4

About [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene

[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene (PubChem CID 90759213) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene.

Molecular Properties

Compound Name[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene
PubChem CID90759213
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene
SMILESCC(/N=N/c1ccc(-c2cnco2)cc1)c1ccncc1
InChIInChI=1S/C16H14N4O/c1-12(13-6-8-17-9-7-13)19-20-15-4-2-14(3-5-15)16-10-18-11-21-16/h2-12H,1H3/b20-19+
InChIKeyCMSKAVNGPGRVGH-FMQUCBEESA-N
XLogP4.58
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene?
The IUPAC name of [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene (CID 90759213) is [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene.
What is the SMILES notation for [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene?
The canonical SMILES for [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene is CC(/N=N/c1ccc(-c2cnco2)cc1)c1ccncc1.
What is the InChIKey of [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene?
The InChIKey is CMSKAVNGPGRVGH-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O/c1-12(13-6-8-17-9-7-13)19-20-15-4-2-14(3-5-15)16-10-18-11-21-16/h2-12H,1H3/b20-19+.
What are the key properties of [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene?
[4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene has a molecular weight of 278.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-5-yl)phenyl]-(1-pyridin-4-ylethyl)diazene is sourced from PubChem (CID 90759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).