N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C30H26FN5O5 — CID 156906402

IUPACN-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C1CC(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)CC(=O)N1
InChIInChI=1S/C30H26FN5O5/c31-23-5-1-3-19(13-23)10-12-33-29(39)28(21-4-2-11-32-16-21)36(30(40)25-17-41-18-34-25)24-8-6-20(7-9-24)22-14-26(37)35-27(38)15-22/h1-9,11,13,16-18,22,28H,10,12,14-15H2,(H,33,39)(H,35,37,38)
InChIKeyOJVLUTWBCIOPLX-UHFFFAOYSA-N
MW555.57 g/mol
LogP3.48
Rot. Bonds9

About N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906402) has the molecular formula C30H26FN5O5 and a molecular weight of 555.57 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906402
Molecular FormulaC30H26FN5O5
Molecular Weight555.57 g/mol
Exact Mass555.19
IUPAC NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C1CC(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)CC(=O)N1
InChIInChI=1S/C30H26FN5O5/c31-23-5-1-3-19(13-23)10-12-33-29(39)28(21-4-2-11-32-16-21)36(30(40)25-17-41-18-34-25)24-8-6-20(7-9-24)22-14-26(37)35-27(38)15-22/h1-9,11,13,16-18,22,28H,10,12,14-15H2,(H,33,39)(H,35,37,38)
InChIKeyOJVLUTWBCIOPLX-UHFFFAOYSA-N
XLogP3.48
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-d9b6304e-1
CID 156906350
ALP-POS-42f3de95-3
CID 156906384
ALP-POS-95f71980-26
CID 156906401
ALP-POS-d0876c20-5
CID 156906465
ALP-POS-d0876c20-17
CID 156906471
ALP-POS-d0876c20-21
CID 156906473
ALP-POS-88a7a97e-39
CID 156906533
ALP-POS-ced8ea4d-16
CID 156906593
ALP-POS-88a7a97e-24
CID 156906520
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-picolinamide
CID 129032618

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-4-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-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906402) is N-[4-(2,6-dioxopiperidin-4-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-(2,6-dioxopiperidin-4-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-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is O=C1CC(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)CC(=O)N1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OJVLUTWBCIOPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O5/c31-23-5-1-3-19(13-23)10-12-33-29(39)28(21-4-2-11-32-16-21)36(30(40)25-17-41-18-34-25)24-8-6-20(7-9-24)22-14-26(37)35-27(38)15-22/h1-9,11,13,16-18,22,28H,10,12,14-15H2,(H,33,39)(H,35,37,38).
What are the key properties of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 555.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).