3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one

C16H23N3O3 — CID 53358935

IUPAC3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCOC2=O)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C16H23N3O3/c1-11-9-18(10-12(2)17-11)14-8-13(4-5-15(14)21-3)19-6-7-22-16(19)20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3/t11-,12+
InChIKeyUMNGNSTZIUKHSB-TXEJJXNPSA-N
MW305.38 g/mol
LogP1.84
Rot. Bonds3

About 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one

3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one (PubChem CID 53358935) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
PubChem CID53358935
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCOC2=O)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C16H23N3O3/c1-11-9-18(10-12(2)17-11)14-8-13(4-5-15(14)21-3)19-6-7-22-16(19)20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3/t11-,12+
InChIKeyUMNGNSTZIUKHSB-TXEJJXNPSA-N
XLogP1.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one (CID 53358935) is 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one is COc1ccc(N2CCOC2=O)cc1N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The InChIKey is UMNGNSTZIUKHSB-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-9-18(10-12(2)17-11)14-8-13(4-5-15(14)21-3)19-6-7-22-16(19)20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3/t11-,12+.
What are the key properties of 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one?
3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53358935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).