N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide

C25H33N5O3 — CID 71543221

IUPACN-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1
InChIInChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-20(12-10-18)28-23(31)19-7-5-4-6-8-19/h9-14,16-17,19,21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1
InChIKeyZPANBBAEJLXOHF-LAUBAEHRSA-N
MW451.57 g/mol
LogP5.15
Rot. Bonds7

About N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide

N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 71543221) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide
PubChem CID71543221
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1
InChIInChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-20(12-10-18)28-23(31)19-7-5-4-6-8-19/h9-14,16-17,19,21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1
InChIKeyZPANBBAEJLXOHF-LAUBAEHRSA-N
XLogP5.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide (CID 71543221) is N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1.
What is the InChIKey of N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is ZPANBBAEJLXOHF-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-20(12-10-18)28-23(31)19-7-5-4-6-8-19/h9-14,16-17,19,21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1.
What are the key properties of N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 71543221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).