N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide

C25H32FN5O3 — CID 71542187

IUPACN-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/t16-,21+/m0/s1
InChIKeyQACQWPWIMWZTHR-HRAATJIYSA-N
MW469.56 g/mol
LogP4.83
Rot. Bonds7

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

N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 71542187) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID71542187
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC NameN-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/t16-,21+/m0/s1
InChIKeyQACQWPWIMWZTHR-HRAATJIYSA-N
XLogP4.83
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 71542187) is N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1.
What is the InChIKey of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is QACQWPWIMWZTHR-HRAATJIYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/t16-,21+/m0/s1.
What are the key properties of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 71542187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).