N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C28H21FN4O3 — CID 76538299

IUPACN-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C28H21FN4O3/c29-23-12-10-20(11-13-23)26(28(35,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(34)24-16-25(36-33-24)19-6-2-1-3-7-19/h1-18,26,35H,(H,32,34)
InChIKeyRBMJULOVIMKROO-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.68
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 76538299) has the molecular formula C28H21FN4O3 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID76538299
Molecular FormulaC28H21FN4O3
Molecular Weight480.50 g/mol
Exact Mass480.16
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C28H21FN4O3/c29-23-12-10-20(11-13-23)26(28(35,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(34)24-16-25(36-33-24)19-6-2-1-3-7-19/h1-18,26,35H,(H,32,34)
InChIKeyRBMJULOVIMKROO-UHFFFAOYSA-N
XLogP4.68
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 76538299) is N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is RBMJULOVIMKROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O3/c29-23-12-10-20(11-13-23)26(28(35,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(34)24-16-25(36-33-24)19-6-2-1-3-7-19/h1-18,26,35H,(H,32,34).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 76538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).