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

C30H24BrN3O2 — CID 138976851

IUPAC4-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
SMILESBrc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1
InChIInChI=1S/C30H24BrN3O2/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
InChIKeyMVPMAXPPDTVCCG-NSOVKSMOSA-N
MW538.45 g/mol
LogP7.23
Rot. Bonds6

About 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

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 (PubChem CID 138976851) has the molecular formula C30H24BrN3O2 and a molecular weight of 538.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID138976851
Molecular FormulaC30H24BrN3O2
Molecular Weight538.45 g/mol
Exact Mass537.11
IUPAC Name4-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
SMILESBrc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1
InChIInChI=1S/C30H24BrN3O2/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
InChIKeyMVPMAXPPDTVCCG-NSOVKSMOSA-N
XLogP7.23
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.45
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1.
What is the InChIKey of 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?
The InChIKey is MVPMAXPPDTVCCG-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H24BrN3O2/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-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?
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 has a molecular weight of 538.45 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138976851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).