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

C15H8Cl2N4O — CID 135436603

IUPAC4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
SMILESClc1cccc(-c2cnoc2-c2c[nH]c3nccnc23)c1Cl
InChIInChI=1S/C15H8Cl2N4O/c16-11-3-1-2-8(12(11)17)9-7-21-22-14(9)10-6-20-15-13(10)18-4-5-19-15/h1-7H,(H,19,20)
InChIKeyNXGQUVQDTWHSGX-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.59
Rot. Bonds2

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

4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole (PubChem CID 135436603) has the molecular formula C15H8Cl2N4O and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
PubChem CID135436603
Molecular FormulaC15H8Cl2N4O
Molecular Weight331.16 g/mol
Exact Mass330.01
IUPAC Name4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole
SMILESClc1cccc(-c2cnoc2-c2c[nH]c3nccnc23)c1Cl
InChIInChI=1S/C15H8Cl2N4O/c16-11-3-1-2-8(12(11)17)9-7-21-22-14(9)10-6-20-15-13(10)18-4-5-19-15/h1-7H,(H,19,20)
InChIKeyNXGQUVQDTWHSGX-UHFFFAOYSA-N
XLogP4.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.59
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)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The IUPAC name of 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole (CID 135436603) is 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole is Clc1cccc(-c2cnoc2-c2c[nH]c3nccnc23)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
The InChIKey is NXGQUVQDTWHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O/c16-11-3-1-2-8(12(11)17)9-7-21-22-14(9)10-6-20-15-13(10)18-4-5-19-15/h1-7H,(H,19,20).
What are the key properties of 4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole?
4-(2,3-dichlorophenyl)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole has a molecular weight of 331.16 g/mol, XLogP of 4.59, 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)-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole is sourced from PubChem (CID 135436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).