[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H31N3O2 — CID 168747717

IUPAC[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)[C@@]2(C)CO[C@@H](C(C)(C)C)N2)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)14(20)16(6)11-21-13(17-16)15(3,4)5/h12-13,17H,7-11H2,1-6H3/t13-,16+/m0/s1
InChIKeyXDCGINJICCSBPK-XJKSGUPXSA-N
MW297.44 g/mol
LogP1.29
Rot. Bonds2

About [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 168747717) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID168747717
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)[C@@]2(C)CO[C@@H](C(C)(C)C)N2)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)14(20)16(6)11-21-13(17-16)15(3,4)5/h12-13,17H,7-11H2,1-6H3/t13-,16+/m0/s1
InChIKeyXDCGINJICCSBPK-XJKSGUPXSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 168747717) is [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)[C@@]2(C)CO[C@@H](C(C)(C)C)N2)CC1.
What is the InChIKey of [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XDCGINJICCSBPK-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)14(20)16(6)11-21-13(17-16)15(3,4)5/h12-13,17H,7-11H2,1-6H3/t13-,16+/m0/s1.
What are the key properties of [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 297.44 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-tert-butyl-4-methyl-1,3-oxazolidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 168747717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).