N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane

C22H23FN2O3 — CID 159422237

IUPACN-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane
SMILESC.O=C(NC1CC(COc2ccc(F)cc2)C1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C21H19FN2O3.CH4/c22-16-6-8-18(9-7-16)26-13-14-10-17(11-14)23-21(25)20-12-19(24-27-20)15-4-2-1-3-5-15;/h1-9,12,14,17H,10-11,13H2,(H,23,25);1H4
InChIKeyLPXGGIYBUNOHHM-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.70
Rot. Bonds6

About N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane

N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane (PubChem CID 159422237) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane.

Molecular Properties

Compound NameN-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane
PubChem CID159422237
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane
SMILESC.O=C(NC1CC(COc2ccc(F)cc2)C1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C21H19FN2O3.CH4/c22-16-6-8-18(9-7-16)26-13-14-10-17(11-14)23-21(25)20-12-19(24-27-20)15-4-2-1-3-5-15;/h1-9,12,14,17H,10-11,13H2,(H,23,25);1H4
InChIKeyLPXGGIYBUNOHHM-UHFFFAOYSA-N
XLogP4.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane?
The IUPAC name of N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane (CID 159422237) is N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane.
What is the SMILES notation for N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane?
The canonical SMILES for N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane is C.O=C(NC1CC(COc2ccc(F)cc2)C1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane?
The InChIKey is LPXGGIYBUNOHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3.CH4/c22-16-6-8-18(9-7-16)26-13-14-10-17(11-14)23-21(25)20-12-19(24-27-20)15-4-2-1-3-5-15;/h1-9,12,14,17H,10-11,13H2,(H,23,25);1H4.
What are the key properties of N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane?
N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane has a molecular weight of 382.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane is sourced from PubChem (CID 159422237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).