benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate

C25H33N5O4 — CID 86730272

IUPACbenzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C25H33N5O4/c1-17(2)21-16-34-25(32)30(21)22-9-12-26-23(28-22)27-18(3)20-10-13-29(14-11-20)24(31)33-15-19-7-5-4-6-8-19/h4-9,12,17-18,20-21H,10-11,13-16H2,1-3H3,(H,26,27,28)/t18-,21+/m0/s1
InChIKeyBANUYLNMDZAHQY-GHTZIAJQSA-N
MW467.57 g/mol
LogP4.31
Rot. Bonds7

About benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate

benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 86730272) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
PubChem CID86730272
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Namebenzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C25H33N5O4/c1-17(2)21-16-34-25(32)30(21)22-9-12-26-23(28-22)27-18(3)20-10-13-29(14-11-20)24(31)33-15-19-7-5-4-6-8-19/h4-9,12,17-18,20-21H,10-11,13-16H2,1-3H3,(H,26,27,28)/t18-,21+/m0/s1
InChIKeyBANUYLNMDZAHQY-GHTZIAJQSA-N
XLogP4.31
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate (CID 86730272) is benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)OCc3ccccc3)CC2)n1.
What is the InChIKey of benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is BANUYLNMDZAHQY-GHTZIAJQSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-17(2)21-16-34-25(32)30(21)22-9-12-26-23(28-22)27-18(3)20-10-13-29(14-11-20)24(31)33-15-19-7-5-4-6-8-19/h4-9,12,17-18,20-21H,10-11,13-16H2,1-3H3,(H,26,27,28)/t18-,21+/m0/s1.
What are the key properties of benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate?
benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 86730272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).