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3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide

C18H17N5O3 — CID 166218441

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1nccnc1C(N)=O
InChIInChI=1S/C18H17N5O3/c1-11-13(23-18(26-11)12-5-3-2-4-6-12)7-8-22-17(25)15-14(16(19)24)20-9-10-21-15/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H,22,25)
InChIKeyHRDMVBMIRMCWSP-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.51
Rot. Bonds6

About 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide

3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide (PubChem CID 166218441) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
PubChem CID166218441
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1nccnc1C(N)=O
InChIInChI=1S/C18H17N5O3/c1-11-13(23-18(26-11)12-5-3-2-4-6-12)7-8-22-17(25)15-14(16(19)24)20-9-10-21-15/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H,22,25)
InChIKeyHRDMVBMIRMCWSP-UHFFFAOYSA-N
XLogP1.51
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide (CID 166218441) is 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1nccnc1C(N)=O.
What is the InChIKey of 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide?
The InChIKey is HRDMVBMIRMCWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-13(23-18(26-11)12-5-3-2-4-6-12)7-8-22-17(25)15-14(16(19)24)20-9-10-21-15/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H,22,25).
What are the key properties of 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide?
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 166218441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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