2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole

C8H13N3O — CID 151453057

IUPAC2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
SMILESC[C@H]1CNCCN1c1ncco1
InChIInChI=1S/C8H13N3O/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyPGWSQLKGNKNYKX-ZETCQYMHSA-N
MW167.21 g/mol
LogP0.47
Rot. Bonds1

About 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole

2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole (PubChem CID 151453057) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
PubChem CID151453057
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
SMILESC[C@H]1CNCCN1c1ncco1
InChIInChI=1S/C8H13N3O/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyPGWSQLKGNKNYKX-ZETCQYMHSA-N
XLogP0.47
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole (CID 151453057) is 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole is C[C@H]1CNCCN1c1ncco1.
What is the InChIKey of 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole?
The InChIKey is PGWSQLKGNKNYKX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole?
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole has a molecular weight of 167.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 151453057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).