3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

C18H25N5O2 — CID 110117413

IUPAC3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)on1
InChIInChI=1S/C18H25N5O2/c1-3-14-9-17(25-22-14)18(24)21-12-16-11-19-15(10-20-16)8-13-4-6-23(2)7-5-13/h9-11,13H,3-8,12H2,1-2H3,(H,21,24)
InChIKeyKHHPHQGFTYFVBC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds6

About 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 110117413) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID110117413
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)on1
InChIInChI=1S/C18H25N5O2/c1-3-14-9-17(25-22-14)18(24)21-12-16-11-19-15(10-20-16)8-13-4-6-23(2)7-5-13/h9-11,13H,3-8,12H2,1-2H3,(H,21,24)
InChIKeyKHHPHQGFTYFVBC-UHFFFAOYSA-N
XLogP1.84
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 110117413) is 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)on1.
What is the InChIKey of 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KHHPHQGFTYFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-14-9-17(25-22-14)18(24)21-12-16-11-19-15(10-20-16)8-13-4-6-23(2)7-5-13/h9-11,13H,3-8,12H2,1-2H3,(H,21,24).
What are the key properties of 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110117413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).