(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one

C8H11N3O2 — CID 82408542

IUPAC(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one
SMILESC[C@@H]1NC(c2cnco2)CNC1=O
InChIInChI=1S/C8H11N3O2/c1-5-8(12)10-2-6(11-5)7-3-9-4-13-7/h3-6,11H,2H2,1H3,(H,10,12)/t5-,6?/m0/s1
InChIKeyNXBCPOYQZRRGPU-ZBHICJROSA-N
MW181.19 g/mol
LogP-0.18
Rot. Bonds1

About (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one

(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one (PubChem CID 82408542) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one
PubChem CID82408542
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one
SMILESC[C@@H]1NC(c2cnco2)CNC1=O
InChIInChI=1S/C8H11N3O2/c1-5-8(12)10-2-6(11-5)7-3-9-4-13-7/h3-6,11H,2H2,1H3,(H,10,12)/t5-,6?/m0/s1
InChIKeyNXBCPOYQZRRGPU-ZBHICJROSA-N
XLogP-0.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one (CID 82408542) is (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one is C[C@@H]1NC(c2cnco2)CNC1=O.
What is the InChIKey of (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one?
The InChIKey is NXBCPOYQZRRGPU-ZBHICJROSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-8(12)10-2-6(11-5)7-3-9-4-13-7/h3-6,11H,2H2,1H3,(H,10,12)/t5-,6?/m0/s1.
What are the key properties of (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one?
(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one has a molecular weight of 181.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one is sourced from PubChem (CID 82408542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).