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

C42H33N3O2 — CID 11700037

IUPAC2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESc1ccc([C@H]2OC(c3ccccc3Nc3ccccc3C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C42H33N3O2/c1-5-17-29(18-6-1)37-39(31-21-9-3-10-22-31)46-41(44-37)33-25-13-15-27-35(33)43-36-28-16-14-26-34(36)42-45-38(30-19-7-2-8-20-30)40(47-42)32-23-11-4-12-24-32/h1-28,37-40,43H/t37-,38-,39+,40+/m0/s1
InChIKeyRCEHTJHLGNWFOJ-JPYDVTDNSA-N
MW611.75 g/mol
LogP9.95
Rot. Bonds8

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

2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (PubChem CID 11700037) has the molecular formula C42H33N3O2 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
PubChem CID11700037
Molecular FormulaC42H33N3O2
Molecular Weight611.75 g/mol
Exact Mass611.26
IUPAC Name2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESc1ccc([C@H]2OC(c3ccccc3Nc3ccccc3C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C42H33N3O2/c1-5-17-29(18-6-1)37-39(31-21-9-3-10-22-31)46-41(44-37)33-25-13-15-27-35(33)43-36-28-16-14-26-34(36)42-45-38(30-19-7-2-8-20-30)40(47-42)32-23-11-4-12-24-32/h1-28,37-40,43H/t37-,38-,39+,40+/m0/s1
InChIKeyRCEHTJHLGNWFOJ-JPYDVTDNSA-N
XLogP9.95
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The IUPAC name of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (CID 11700037) is 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.
What is the SMILES notation for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The canonical SMILES for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is c1ccc([C@H]2OC(c3ccccc3Nc3ccccc3C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The InChIKey is RCEHTJHLGNWFOJ-JPYDVTDNSA-N. The full InChI is InChI=1S/C42H33N3O2/c1-5-17-29(18-6-1)37-39(31-21-9-3-10-22-31)46-41(44-37)33-25-13-15-27-35(33)43-36-28-16-14-26-34(36)42-45-38(30-19-7-2-8-20-30)40(47-42)32-23-11-4-12-24-32/h1-28,37-40,43H/t37-,38-,39+,40+/m0/s1.
What are the key properties of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline has a molecular weight of 611.75 g/mol, XLogP of 9.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is sourced from PubChem (CID 11700037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).