(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one

C11H17N3O2 — CID 164633968

IUPAC(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one
SMILESCc1nc(CN2CC(=O)N(C)[C@@H](C)C2)co1
InChIInChI=1S/C11H17N3O2/c1-8-4-14(6-11(15)13(8)3)5-10-7-16-9(2)12-10/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyZTLFIRWGMXHKTJ-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.65
Rot. Bonds2

About (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one

(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one (PubChem CID 164633968) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one
PubChem CID164633968
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one
SMILESCc1nc(CN2CC(=O)N(C)[C@@H](C)C2)co1
InChIInChI=1S/C11H17N3O2/c1-8-4-14(6-11(15)13(8)3)5-10-7-16-9(2)12-10/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyZTLFIRWGMXHKTJ-QMMMGPOBSA-N
XLogP0.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one (CID 164633968) is (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one is Cc1nc(CN2CC(=O)N(C)[C@@H](C)C2)co1.
What is the InChIKey of (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The InChIKey is ZTLFIRWGMXHKTJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-14(6-11(15)13(8)3)5-10-7-16-9(2)12-10/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
(6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dimethyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 164633968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).