2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C19H20ClN5O2 — CID 88541866

IUPAC2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(N)c(Cl)n3)cc2)no1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,3)14-9-15(25-27-14)24-16(26)8-11-4-6-12(7-5-11)13-10-22-18(21)17(20)23-13/h4-7,9-10H,8H2,1-3H3,(H2,21,22)(H,24,25,26)
InChIKeySRYOPAZFDFYEKH-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 88541866) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
PubChem CID88541866
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(N)c(Cl)n3)cc2)no1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,3)14-9-15(25-27-14)24-16(26)8-11-4-6-12(7-5-11)13-10-22-18(21)17(20)23-13/h4-7,9-10H,8H2,1-3H3,(H2,21,22)(H,24,25,26)
InChIKeySRYOPAZFDFYEKH-UHFFFAOYSA-N
XLogP3.85
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 88541866) is 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(N)c(Cl)n3)cc2)no1.
What is the InChIKey of 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SRYOPAZFDFYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-19(2,3)14-9-15(25-27-14)24-16(26)8-11-4-6-12(7-5-11)13-10-22-18(21)17(20)23-13/h4-7,9-10H,8H2,1-3H3,(H2,21,22)(H,24,25,26).
What are the key properties of 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 385.86 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 88541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).