N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H25FN4O5 — CID 10299464

IUPACN-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C#N)c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O5/c1-16(31)28-14-21-15-30(25(33)35-21)19-5-6-23(22(26)12-19)34-20-7-9-29(10-8-20)24(32)18-4-2-3-17(11-18)13-27/h2-6,11-12,20-21H,7-10,14-15H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyVTLHFMOBIXZCAY-NRFANRHFSA-N
MW480.50 g/mol
LogP2.84
Rot. Bonds6

About N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10299464) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10299464
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC NameN-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C#N)c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O5/c1-16(31)28-14-21-15-30(25(33)35-21)19-5-6-23(22(26)12-19)34-20-7-9-29(10-8-20)24(32)18-4-2-3-17(11-18)13-27/h2-6,11-12,20-21H,7-10,14-15H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyVTLHFMOBIXZCAY-NRFANRHFSA-N
XLogP2.84
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10299464) is N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C#N)c4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VTLHFMOBIXZCAY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-16(31)28-14-21-15-30(25(33)35-21)19-5-6-23(22(26)12-19)34-20-7-9-29(10-8-20)24(32)18-4-2-3-17(11-18)13-27/h2-6,11-12,20-21H,7-10,14-15H2,1H3,(H,28,31)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 480.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10299464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).