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

C23H26N4O3 — CID 67516613

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C23H26N4O3/c1-14-9-10-16(20-21(28)23(2,3)30-27-20)11-17(14)18-12-25-19(13-24-18)26-22(29)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,25,26,29)
InChIKeyDDHSCVLJZHRGJA-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.05
Rot. Bonds4

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

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide (PubChem CID 67516613) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide
PubChem CID67516613
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C23H26N4O3/c1-14-9-10-16(20-21(28)23(2,3)30-27-20)11-17(14)18-12-25-19(13-24-18)26-22(29)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,25,26,29)
InChIKeyDDHSCVLJZHRGJA-UHFFFAOYSA-N
XLogP4.05
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide (CID 67516613) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide?
The InChIKey is DDHSCVLJZHRGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-9-10-16(20-21(28)23(2,3)30-27-20)11-17(14)18-12-25-19(13-24-18)26-22(29)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,25,26,29).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 67516613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).