5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

C14H8ClN5O — CID 155585351

IUPAC5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C14H8ClN5O/c15-10-3-1-9(2-4-10)12-7-19-14(21-12)20-13-8-17-11(5-16)6-18-13/h1-4,6-8H,(H,18,19,20)
InChIKeyZWJQXEKCJDWXEU-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.40
Rot. Bonds3

About 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155585351) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
PubChem CID155585351
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C14H8ClN5O/c15-10-3-1-9(2-4-10)12-7-19-14(21-12)20-13-8-17-11(5-16)6-18-13/h1-4,6-8H,(H,18,19,20)
InChIKeyZWJQXEKCJDWXEU-UHFFFAOYSA-N
XLogP3.40
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (CID 155585351) is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is ZWJQXEKCJDWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-10-3-1-9(2-4-10)12-7-19-14(21-12)20-13-8-17-11(5-16)6-18-13/h1-4,6-8H,(H,18,19,20).
What are the key properties of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 297.71 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155585351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).