N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C28H26FN5O5S — CID 156906403

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C28H26FN5O5S/c29-22-6-1-4-20(16-22)11-13-31-27(35)26(21-5-2-12-30-17-21)34(28(36)25-18-39-19-32-25)24-9-7-23(8-10-24)33-14-3-15-40(33,37)38/h1-2,4-10,12,16-19,26H,3,11,13-15H2,(H,31,35)
InChIKeyANIVJGSJFINECR-UHFFFAOYSA-N
MW563.61 g/mol
LogP3.50
Rot. Bonds9

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906403) has the molecular formula C28H26FN5O5S and a molecular weight of 563.61 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906403
Molecular FormulaC28H26FN5O5S
Molecular Weight563.61 g/mol
Exact Mass563.16
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C28H26FN5O5S/c29-22-6-1-4-20(16-22)11-13-31-27(35)26(21-5-2-12-30-17-21)34(28(36)25-18-39-19-32-25)24-9-7-23(8-10-24)33-14-3-15-40(33,37)38/h1-2,4-10,12,16-19,26H,3,11,13-15H2,(H,31,35)
InChIKeyANIVJGSJFINECR-UHFFFAOYSA-N
XLogP3.50
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.61
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-95f71980-26
CID 156906401
ALP-POS-d0876c20-21
CID 156906473
ALP-POS-88a7a97e-39
CID 156906533
ALP-POS-ced8ea4d-16
CID 156906593
N-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(1,3-oxazol-4-ylmethyl)-6,6-dioxo-6lambda6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 76286309
N-[3-[(5S,10R)-8-amino-7,10-dimethyl-2-(1,3-oxazol-4-ylmethyl)-6,6-dioxo-6lambda6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 76286611
ALP-POS-95f71980-3
CID 156906386
ALP-POS-95f71980-10
CID 156906389
ALP-POS-95f71980-11
CID 156906390
ALP-POS-95f71980-15
CID 156906392

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906403) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ANIVJGSJFINECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O5S/c29-22-6-1-4-20(16-22)11-13-31-27(35)26(21-5-2-12-30-17-21)34(28(36)25-18-39-19-32-25)24-9-7-23(8-10-24)33-14-3-15-40(33,37)38/h1-2,4-10,12,16-19,26H,3,11,13-15H2,(H,31,35).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).