4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole

C16H10Cl2N4O — CID 135454824

IUPAC4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
SMILESCc1noc(-c2c[nH]c3nccnc23)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O/c1-8-12(9-3-2-4-11(17)13(9)18)15(23-22-8)10-7-21-16-14(10)19-5-6-20-16/h2-7H,1H3,(H,20,21)
InChIKeyFFQUHXGETMEKAW-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.90
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole

4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole (PubChem CID 135454824) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
PubChem CID135454824
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
SMILESCc1noc(-c2c[nH]c3nccnc23)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O/c1-8-12(9-3-2-4-11(17)13(9)18)15(23-22-8)10-7-21-16-14(10)19-5-6-20-16/h2-7H,1H3,(H,20,21)
InChIKeyFFQUHXGETMEKAW-UHFFFAOYSA-N
XLogP4.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole (CID 135454824) is 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole is Cc1noc(-c2c[nH]c3nccnc23)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The InChIKey is FFQUHXGETMEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c1-8-12(9-3-2-4-11(17)13(9)18)15(23-22-8)10-7-21-16-14(10)19-5-6-20-16/h2-7H,1H3,(H,20,21).
What are the key properties of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole has a molecular weight of 345.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole is sourced from PubChem (CID 135454824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).