3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C19H27N3O4 — CID 99788705

IUPAC3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-14-12-20(13-19(2,3)25)8-9-21(14)17(23)15-4-6-16(7-5-15)22-10-11-26-18(22)24/h4-7,14,25H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyFMBJEEIUCFFVCT-AWEZNQCLSA-N
MW361.44 g/mol
LogP1.56
Rot. Bonds4

About 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 99788705) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID99788705
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-14-12-20(13-19(2,3)25)8-9-21(14)17(23)15-4-6-16(7-5-15)22-10-11-26-18(22)24/h4-7,14,25H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyFMBJEEIUCFFVCT-AWEZNQCLSA-N
XLogP1.56
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 99788705) is 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FMBJEEIUCFFVCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-12-20(13-19(2,3)25)8-9-21(14)17(23)15-4-6-16(7-5-15)22-10-11-26-18(22)24/h4-7,14,25H,8-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 99788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).