N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H26FN5O3S — CID 11511600

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(-c5ccsc5)cn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3S/c1-17(32)27-14-21-15-31(25(33)34-21)20-3-4-23(22(26)12-20)29-7-9-30(10-8-29)24-5-2-18(13-28-24)19-6-11-35-16-19/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyPXSUANJAPBULNC-NRFANRHFSA-N
MW495.58 g/mol
LogP3.74
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11511600) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11511600
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(-c5ccsc5)cn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3S/c1-17(32)27-14-21-15-31(25(33)34-21)20-3-4-23(22(26)12-20)29-7-9-30(10-8-29)24-5-2-18(13-28-24)19-6-11-35-16-19/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyPXSUANJAPBULNC-NRFANRHFSA-N
XLogP3.74
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11511600) is N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(-c5ccsc5)cn4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PXSUANJAPBULNC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-17(32)27-14-21-15-31(25(33)34-21)20-3-4-23(22(26)12-20)29-7-9-30(10-8-29)24-5-2-18(13-28-24)19-6-11-35-16-19/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,27,32)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11511600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).