N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C30H32FN5O6 — CID 10281658

IUPACN-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C30H32FN5O6/c1-19(37)32-17-22-18-36(30(39)42-22)21-8-9-23(24(31)15-21)20-7-10-27(33-16-20)34-11-13-35(14-12-34)29(38)28-25(40-2)5-4-6-26(28)41-3/h4-10,15-16,22H,11-14,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1
InChIKeyAXFVDUNYOXHUQK-QFIPXVFZSA-N
MW577.61 g/mol
LogP3.33
Rot. Bonds8

About N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10281658) has the molecular formula C30H32FN5O6 and a molecular weight of 577.61 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10281658
Molecular FormulaC30H32FN5O6
Molecular Weight577.61 g/mol
Exact Mass577.23
IUPAC NameN-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C30H32FN5O6/c1-19(37)32-17-22-18-36(30(39)42-22)21-8-9-23(24(31)15-21)20-7-10-27(33-16-20)34-11-13-35(14-12-34)29(38)28-25(40-2)5-4-6-26(28)41-3/h4-10,15-16,22H,11-14,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1
InChIKeyAXFVDUNYOXHUQK-QFIPXVFZSA-N
XLogP3.33
TPSA113.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10281658) is N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cccc(OC)c1C(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AXFVDUNYOXHUQK-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H32FN5O6/c1-19(37)32-17-22-18-36(30(39)42-22)21-8-9-23(24(31)15-21)20-7-10-27(33-16-20)34-11-13-35(14-12-34)29(38)28-25(40-2)5-4-6-26(28)41-3/h4-10,15-16,22H,11-14,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 577.61 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[6-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10281658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).