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

C34H27FN4O2 — CID 155344751

IUPAC4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline
SMILESFc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2(C3=N[C@H](c4ccccc4)CO3)C=CC=N2)c1
InChIInChI=1S/C34H27FN4O2/c35-25-16-17-29(37-28-15-8-7-14-26(28)32-38-30(21-40-32)23-10-3-1-4-11-23)27(20-25)34(18-9-19-36-34)33-39-31(22-41-33)24-12-5-2-6-13-24/h1-20,30-31,37H,21-22H2/t30-,31-,34?/m0/s1
InChIKeySEWNXKPNRFREHE-FVVNGJPMSA-N
MW542.61 g/mol
LogP7.09
Rot. Bonds7

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

4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline (PubChem CID 155344751) has the molecular formula C34H27FN4O2 and a molecular weight of 542.61 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline
PubChem CID155344751
Molecular FormulaC34H27FN4O2
Molecular Weight542.61 g/mol
Exact Mass542.21
IUPAC Name4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline
SMILESFc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2(C3=N[C@H](c4ccccc4)CO3)C=CC=N2)c1
InChIInChI=1S/C34H27FN4O2/c35-25-16-17-29(37-28-15-8-7-14-26(28)32-38-30(21-40-32)23-10-3-1-4-11-23)27(20-25)34(18-9-19-36-34)33-39-31(22-41-33)24-12-5-2-6-13-24/h1-20,30-31,37H,21-22H2/t30-,31-,34?/m0/s1
InChIKeySEWNXKPNRFREHE-FVVNGJPMSA-N
XLogP7.09
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.61
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline?
The IUPAC name of 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline (CID 155344751) is 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline?
The canonical SMILES for 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline is Fc1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2(C3=N[C@H](c4ccccc4)CO3)C=CC=N2)c1.
What is the InChIKey of 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline?
The InChIKey is SEWNXKPNRFREHE-FVVNGJPMSA-N. The full InChI is InChI=1S/C34H27FN4O2/c35-25-16-17-29(37-28-15-8-7-14-26(28)32-38-30(21-40-32)23-10-3-1-4-11-23)27(20-25)34(18-9-19-36-34)33-39-31(22-41-33)24-12-5-2-6-13-24/h1-20,30-31,37H,21-22H2/t30-,31-,34?/m0/s1.
What are the key properties of 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline?
4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline has a molecular weight of 542.61 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrol-2-yl]aniline is sourced from PubChem (CID 155344751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).