4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

C30H24FN3O2 — CID 155727081

IUPAC4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESFc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1
InChIInChI=1S/C30H24FN3O2/c31-22-15-16-26(24(17-22)30-34-28(19-36-30)21-11-5-2-6-12-21)32-25-14-8-7-13-23(25)29-33-27(18-35-29)20-9-3-1-4-10-20/h1-17,27-28,32H,18-19H2/t27-,28-/m0/s1
InChIKeyDZFSWJHVZDCGQF-NSOVKSMOSA-N
MW477.54 g/mol
LogP6.61
Rot. Bonds6

About 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (PubChem CID 155727081) has the molecular formula C30H24FN3O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
PubChem CID155727081
Molecular FormulaC30H24FN3O2
Molecular Weight477.54 g/mol
Exact Mass477.19
IUPAC Name4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESFc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1
InChIInChI=1S/C30H24FN3O2/c31-22-15-16-26(24(17-22)30-34-28(19-36-30)21-11-5-2-6-12-21)32-25-14-8-7-13-23(25)29-33-27(18-35-29)20-9-3-1-4-10-20/h1-17,27-28,32H,18-19H2/t27-,28-/m0/s1
InChIKeyDZFSWJHVZDCGQF-NSOVKSMOSA-N
XLogP6.61
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline with MolForge

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Launch Full Analysis

Related Compounds

2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-N-{2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]phenyl}benzenamine
CID 10916509
N1,N2-bis({2-[(4S)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl})benzene-1,2-diamine
CID 101887323
N1,N2-Bis(2-((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)phenyl)benzene-1,2-diamine
CID 72164611
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 85314388
2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-N-(2-fluorophenyl)-aniline
CID 129855615
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3-fluorophenyl]-3-fluoroaniline
CID 134952367
4-Fluoro-2-[(4s)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-aniline
CID 162625183
bis(2-((S)-4-Phenyl-4,5-dihydrooxazol-2-yl)phenyl)amine
CID 10994174
Bis[2-((4S)-4,5-dihydro-4-isopropyloxazol-2-yl)phenyl]amine
CID 11003687
Bis[2-((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]amine
CID 11026189
2,6-dimethyl-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 101962532
4-bromo-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 138976851

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The IUPAC name of 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (CID 155727081) is 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is Fc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1.
What is the InChIKey of 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The InChIKey is DZFSWJHVZDCGQF-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H24FN3O2/c31-22-15-16-26(24(17-22)30-34-28(19-36-30)21-11-5-2-6-12-21)32-25-14-8-7-13-23(25)29-33-27(18-35-29)20-9-3-1-4-10-20/h1-17,27-28,32H,18-19H2/t27-,28-/m0/s1.
What are the key properties of 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline has a molecular weight of 477.54 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is sourced from PubChem (CID 155727081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).