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

C39H36N4O2 — CID 139105480

IUPACN-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline
SMILESCC(C)[C@H]1COC(c2ccccc2Nc2ccccc2-c2ccccc2Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)=N1
InChIInChI=1S/C39H36N4O2/c1-26(2)36-24-44-38(42-36)30-18-8-12-22-34(30)40-32-20-10-6-16-28(32)29-17-7-11-21-33(29)41-35-23-13-9-19-31(35)39-43-37(25-45-39)27-14-4-3-5-15-27/h3-23,26,36-37,40-41H,24-25H2,1-2H3/t36-,37+/m1/s1
InChIKeyRANMFGYELLZRNX-AARKOHAPSA-N
MW592.74 g/mol
LogP9.16
Rot. Bonds9

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

N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline (PubChem CID 139105480) has the molecular formula C39H36N4O2 and a molecular weight of 592.74 g/mol. Its IUPAC name is N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline.

Molecular Properties

Compound NameN-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline
PubChem CID139105480
Molecular FormulaC39H36N4O2
Molecular Weight592.74 g/mol
Exact Mass592.28
IUPAC NameN-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline
SMILESCC(C)[C@H]1COC(c2ccccc2Nc2ccccc2-c2ccccc2Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)=N1
InChIInChI=1S/C39H36N4O2/c1-26(2)36-24-44-38(42-36)30-18-8-12-22-34(30)40-32-20-10-6-16-28(32)29-17-7-11-21-33(29)41-35-23-13-9-19-31(35)39-43-37(25-45-39)27-14-4-3-5-15-27/h3-23,26,36-37,40-41H,24-25H2,1-2H3/t36-,37+/m1/s1
InChIKeyRANMFGYELLZRNX-AARKOHAPSA-N
XLogP9.16
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?
The IUPAC name of N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline (CID 139105480) is N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline.
What is the SMILES notation for N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?
The canonical SMILES for N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline is CC(C)[C@H]1COC(c2ccccc2Nc2ccccc2-c2ccccc2Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)=N1.
What is the InChIKey of N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?
The InChIKey is RANMFGYELLZRNX-AARKOHAPSA-N. The full InChI is InChI=1S/C39H36N4O2/c1-26(2)36-24-44-38(42-36)30-18-8-12-22-34(30)40-32-20-10-6-16-28(32)29-17-7-11-21-33(29)41-35-23-13-9-19-31(35)39-43-37(25-45-39)27-14-4-3-5-15-27/h3-23,26,36-37,40-41H,24-25H2,1-2H3/t36-,37+/m1/s1.
What are the key properties of N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?
N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline has a molecular weight of 592.74 g/mol, XLogP of 9.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline is sourced from PubChem (CID 139105480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).