N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H27FN4O3 — CID 23403957

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cccc(C)n4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H27FN4O3/c1-17-4-3-5-21(30-17)14-28-13-19-6-8-20(9-7-19)24-11-10-22(12-25(24)27)31-16-23(34-26(31)33)15-29-18(2)32/h3-12,23,28H,13-16H2,1-2H3,(H,29,32)/t23-/m0/s1
InChIKeyLXDWLKXZDQGFQQ-QHCPKHFHSA-N
MW462.53 g/mol
LogP3.95
Rot. Bonds8

About N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403957) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403957
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cccc(C)n4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H27FN4O3/c1-17-4-3-5-21(30-17)14-28-13-19-6-8-20(9-7-19)24-11-10-22(12-25(24)27)31-16-23(34-26(31)33)15-29-18(2)32/h3-12,23,28H,13-16H2,1-2H3,(H,29,32)/t23-/m0/s1
InChIKeyLXDWLKXZDQGFQQ-QHCPKHFHSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[[(3-fluoro-4-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403908
N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404056
N-[[(5S)-3-[4-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404082
N-[[3-[3-fluoro-4-[4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404201
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89084845
N-[[3-[4-[4-[(2,3-dihydro-1,3-oxazol-5-ylmethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91320356
N-[[(5S)-3-[3-fluoro-4-[4-[[3-(2H-triazol-4-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11385780
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897
N-[[(5S)-3-[3-fluoro-4-[6-[(1,2-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404023
N-[[(5S)-3-[3-fluoro-4-[4-(4-pyridin-2-ylbutyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045416
N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403888

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403957) is N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cccc(C)n4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LXDWLKXZDQGFQQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-4-3-5-21(30-17)14-28-13-19-6-8-20(9-7-19)24-11-10-22(12-25(24)27)31-16-23(34-26(31)33)15-29-18(2)32/h3-12,23,28H,13-16H2,1-2H3,(H,29,32)/t23-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).