2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole

C18H12F2N2O2 — CID 169450081

IUPAC2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole
SMILESFc1ccc(F)c(-c2nc(C3=N[C@@H](c4ccccc4)CO3)co2)c1
InChIInChI=1S/C18H12F2N2O2/c19-12-6-7-14(20)13(8-12)17-22-16(10-23-17)18-21-15(9-24-18)11-4-2-1-3-5-11/h1-8,10,15H,9H2/t15-/m1/s1
InChIKeyALNHRURERPZLOR-OAHLLOKOSA-N
MW326.30 g/mol
LogP4.14
Rot. Bonds3

About 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole

2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole (PubChem CID 169450081) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole
PubChem CID169450081
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole
SMILESFc1ccc(F)c(-c2nc(C3=N[C@@H](c4ccccc4)CO3)co2)c1
InChIInChI=1S/C18H12F2N2O2/c19-12-6-7-14(20)13(8-12)17-22-16(10-23-17)18-21-15(9-24-18)11-4-2-1-3-5-11/h1-8,10,15H,9H2/t15-/m1/s1
InChIKeyALNHRURERPZLOR-OAHLLOKOSA-N
XLogP4.14
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole with MolForge

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Related Compounds

Diphenyloxazole
CID 168750
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
Ave-8134
CID 11625114
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617
2-(3-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415641
2-(4-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415668

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole (CID 169450081) is 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole is Fc1ccc(F)c(-c2nc(C3=N[C@@H](c4ccccc4)CO3)co2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole?
The InChIKey is ALNHRURERPZLOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-12-6-7-14(20)13(8-12)17-22-16(10-23-17)18-21-15(9-24-18)11-4-2-1-3-5-11/h1-8,10,15H,9H2/t15-/m1/s1.
What are the key properties of 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole?
2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole has a molecular weight of 326.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 169450081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).