5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one

C20H22N6O2 — CID 138403881

IUPAC5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(C4CCC(=O)NC4)cnc3N)on2)cc1
InChIInChI=1S/C20H22N6O2/c1-22-9-12-2-4-13(5-3-12)15-8-17(28-26-15)19-20(21)24-11-16(25-19)14-6-7-18(27)23-10-14/h2-5,8,11,14,22H,6-7,9-10H2,1H3,(H2,21,24)(H,23,27)
InChIKeyGCTSDIGMSLJHTR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.09
Rot. Bonds5

About 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one

5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one (PubChem CID 138403881) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one
PubChem CID138403881
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(C4CCC(=O)NC4)cnc3N)on2)cc1
InChIInChI=1S/C20H22N6O2/c1-22-9-12-2-4-13(5-3-12)15-8-17(28-26-15)19-20(21)24-11-16(25-19)14-6-7-18(27)23-10-14/h2-5,8,11,14,22H,6-7,9-10H2,1H3,(H2,21,24)(H,23,27)
InChIKeyGCTSDIGMSLJHTR-UHFFFAOYSA-N
XLogP2.09
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one (CID 138403881) is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one is CNCc1ccc(-c2cc(-c3nc(C4CCC(=O)NC4)cnc3N)on2)cc1.
What is the InChIKey of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one?
The InChIKey is GCTSDIGMSLJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-22-9-12-2-4-13(5-3-12)15-8-17(28-26-15)19-20(21)24-11-16(25-19)14-6-7-18(27)23-10-14/h2-5,8,11,14,22H,6-7,9-10H2,1H3,(H2,21,24)(H,23,27).
What are the key properties of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one?
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one has a molecular weight of 378.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one is sourced from PubChem (CID 138403881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).