N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

C18H16FN3O2 — CID 110650714

IUPACN-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O2/c1-22(2)15-9-7-14(8-10-15)21-18(23)16-11-20-24-17(16)12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,23)
InChIKeyOWRDADVUNNKVLY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110650714) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
PubChem CID110650714
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O2/c1-22(2)15-9-7-14(8-10-15)21-18(23)16-11-20-24-17(16)12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,23)
InChIKeyOWRDADVUNNKVLY-UHFFFAOYSA-N
XLogP3.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110651346
N-(3-acetamidophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650555
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110650232
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110650762
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
N-(2-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110649553

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (CID 110650714) is N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is OWRDADVUNNKVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-22(2)15-9-7-14(8-10-15)21-18(23)16-11-20-24-17(16)12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110650714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).