2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide

C23H19ClN4O3 — CID 57330623

IUPAC2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C23H19ClN4O3/c1-13-8-9-14(20-21(29)23(2,3)31-28-20)10-16(13)18-11-26-19(12-25-18)27-22(30)15-6-4-5-7-17(15)24/h4-12H,1-3H3,(H,26,27,30)
InChIKeyGDPDBPBRFMYPNO-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.44
Rot. Bonds4

About 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide

2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide (PubChem CID 57330623) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
PubChem CID57330623
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C23H19ClN4O3/c1-13-8-9-14(20-21(29)23(2,3)31-28-20)10-16(13)18-11-26-19(12-25-18)27-22(30)15-6-4-5-7-17(15)24/h4-12H,1-3H3,(H,26,27,30)
InChIKeyGDPDBPBRFMYPNO-UHFFFAOYSA-N
XLogP4.44
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide (CID 57330623) is 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The InChIKey is GDPDBPBRFMYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-13-8-9-14(20-21(29)23(2,3)31-28-20)10-16(13)18-11-26-19(12-25-18)27-22(30)15-6-4-5-7-17(15)24/h4-12H,1-3H3,(H,26,27,30).
What are the key properties of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide has a molecular weight of 434.88 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 57330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).