5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

C17H16N6O2 — CID 175957251

IUPAC5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OCCCN)on2)cn1
InChIInChI=1S/C17H16N6O2/c18-6-3-7-24-14-5-2-1-4-13(14)15-8-16(23-25-15)22-17-11-20-12(9-19)10-21-17/h1-2,4-5,8,10-11H,3,6-7,18H2,(H,21,22,23)
InChIKeyATKFTKBTACXKER-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.47
Rot. Bonds7

About 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 175957251) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID175957251
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OCCCN)on2)cn1
InChIInChI=1S/C17H16N6O2/c18-6-3-7-24-14-5-2-1-4-13(14)15-8-16(23-25-15)22-17-11-20-12(9-19)10-21-17/h1-2,4-5,8,10-11H,3,6-7,18H2,(H,21,22,23)
InChIKeyATKFTKBTACXKER-UHFFFAOYSA-N
XLogP2.47
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile 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 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (CID 175957251) is 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3ccccc3OCCCN)on2)cn1.
What is the InChIKey of 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is ATKFTKBTACXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-6-3-7-24-14-5-2-1-4-13(14)15-8-16(23-25-15)22-17-11-20-12(9-19)10-21-17/h1-2,4-5,8,10-11H,3,6-7,18H2,(H,21,22,23).
What are the key properties of 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 336.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 175957251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).