(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H17FN2O2 — CID 29095185

IUPAC(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C22H17FN2O2/c23-18-10-6-17(7-11-18)20-14-21(27-25-20)22(26)24-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13,21H,14H2,(H,24,26)/t21-/m1/s1
InChIKeyBLLGWWUIFDMAOX-OAQYLSRUSA-N
MW360.39 g/mol
LogP4.62
Rot. Bonds4

About (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 29095185) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID29095185
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C22H17FN2O2/c23-18-10-6-17(7-11-18)20-14-21(27-25-20)22(26)24-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13,21H,14H2,(H,24,26)/t21-/m1/s1
InChIKeyBLLGWWUIFDMAOX-OAQYLSRUSA-N
XLogP4.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682
N-(3-fluoro-4-methylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491706
3-(4-fluorophenyl)-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491778
(5S)-N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503703
(5R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7645639
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095752
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668689
N-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491661
3-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133353

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 29095185) is (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BLLGWWUIFDMAOX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-18-10-6-17(7-11-18)20-14-21(27-25-20)22(26)24-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13,21H,14H2,(H,24,26)/t21-/m1/s1.
What are the key properties of (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29095185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).