[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

C17H23N5O2 — CID 110112300

IUPAC[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1
InChIInChI=1S/C17H23N5O2/c1-12-15(20-11-24-12)17(23)22-8-4-13(5-9-22)16-14(10-21(2)3)18-6-7-19-16/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyQFXCHPMILPOBES-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds4

About [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 110112300) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID110112300
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1
InChIInChI=1S/C17H23N5O2/c1-12-15(20-11-24-12)17(23)22-8-4-13(5-9-22)16-14(10-21(2)3)18-6-7-19-16/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyQFXCHPMILPOBES-UHFFFAOYSA-N
XLogP1.85
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 110112300) is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1.
What is the InChIKey of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is QFXCHPMILPOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-15(20-11-24-12)17(23)22-8-4-13(5-9-22)16-14(10-21(2)3)18-6-7-19-16/h6-7,11,13H,4-5,8-10H2,1-3H3.
What are the key properties of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 110112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).