5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

C23H27FN6O6 — CID 15541053

IUPAC5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(=O)N(C)C)no4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN6O6/c1-14(31)25-12-16-13-30(23(34)35-16)15-4-5-19(17(24)10-15)28-6-8-29(9-7-28)22(33)20-11-18(26-36-20)21(32)27(2)3/h4-5,10-11,16H,6-9,12-13H2,1-3H3,(H,25,31)/t16-/m0/s1
InChIKeyCSNYKSFDUYYISU-INIZCTEOSA-N
MW502.50 g/mol
LogP0.94
Rot. Bonds6

About 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 15541053) has the molecular formula C23H27FN6O6 and a molecular weight of 502.50 g/mol. Its IUPAC name is 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID15541053
Molecular FormulaC23H27FN6O6
Molecular Weight502.50 g/mol
Exact Mass502.20
IUPAC Name5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(=O)N(C)C)no4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN6O6/c1-14(31)25-12-16-13-30(23(34)35-16)15-4-5-19(17(24)10-15)28-6-8-29(9-7-28)22(33)20-11-18(26-36-20)21(32)27(2)3/h4-5,10-11,16H,6-9,12-13H2,1-3H3,(H,25,31)/t16-/m0/s1
InChIKeyCSNYKSFDUYYISU-INIZCTEOSA-N
XLogP0.94
TPSA128.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 15541053) is 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(=O)N(C)C)no4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is CSNYKSFDUYYISU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27FN6O6/c1-14(31)25-12-16-13-30(23(34)35-16)15-4-5-19(17(24)10-15)28-6-8-29(9-7-28)22(33)20-11-18(26-36-20)21(32)27(2)3/h4-5,10-11,16H,6-9,12-13H2,1-3H3,(H,25,31)/t16-/m0/s1.
What are the key properties of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15541053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).