3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

C19H20N6O2 — CID 126685777

IUPAC3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C4C)o3)c2)n1
InChIInChI=1S/C19H20N6O2/c1-12-6-7-21-18(23-12)24-15-5-3-4-14(10-15)16-11-22-19(27-16)25-9-8-20-17(26)13(25)2/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,26)(H,21,23,24)
InChIKeyXDRYROGYKAQXKB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one (PubChem CID 126685777) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one
PubChem CID126685777
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C4C)o3)c2)n1
InChIInChI=1S/C19H20N6O2/c1-12-6-7-21-18(23-12)24-15-5-3-4-14(10-15)16-11-22-19(27-16)25-9-8-20-17(26)13(25)2/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,26)(H,21,23,24)
InChIKeyXDRYROGYKAQXKB-UHFFFAOYSA-N
XLogP2.51
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one (CID 126685777) is 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one is Cc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C4C)o3)c2)n1.
What is the InChIKey of 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one?
The InChIKey is XDRYROGYKAQXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-6-7-21-18(23-12)24-15-5-3-4-14(10-15)16-11-22-19(27-16)25-9-8-20-17(26)13(25)2/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,26)(H,21,23,24).
What are the key properties of 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one?
3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one is sourced from PubChem (CID 126685777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).