3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole

C33H21N3O3 — CID 91007673

IUPAC3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole
SMILESc1ccc(-c2conc2-c2cccc(-c3nocc3-c3ccccc3)c2-c2nocc2-c2ccccc2)cc1
InChIInChI=1S/C33H21N3O3/c1-4-11-22(12-5-1)27-19-37-34-31(27)25-17-10-18-26(32-28(20-38-35-32)23-13-6-2-7-14-23)30(25)33-29(21-39-36-33)24-15-8-3-9-16-24/h1-21H
InChIKeyDDRWXYSAWPNMDM-UHFFFAOYSA-N
MW507.55 g/mol
LogP8.65
Rot. Bonds6

About 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole

3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole (PubChem CID 91007673) has the molecular formula C33H21N3O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole
PubChem CID91007673
Molecular FormulaC33H21N3O3
Molecular Weight507.55 g/mol
Exact Mass507.16
IUPAC Name3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole
SMILESc1ccc(-c2conc2-c2cccc(-c3nocc3-c3ccccc3)c2-c2nocc2-c2ccccc2)cc1
InChIInChI=1S/C33H21N3O3/c1-4-11-22(12-5-1)27-19-37-34-31(27)25-17-10-18-26(32-28(20-38-35-32)23-13-6-2-7-14-23)30(25)33-29(21-39-36-33)24-15-8-3-9-16-24/h1-21H
InChIKeyDDRWXYSAWPNMDM-UHFFFAOYSA-N
XLogP8.65
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 71740242
3-phenyl-1,2-oxazole-4-thiol
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N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole
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4-phenyl-3-(trifluoromethoxy)-1,2-oxazole
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CID 101119071
ethane;N-[4-(3-phenyl-1,2-oxazol-4-yl)phenyl]sulfanylpropanamide
CID 142891124
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 19768618
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole?
The IUPAC name of 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole (CID 91007673) is 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole?
The canonical SMILES for 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole is c1ccc(-c2conc2-c2cccc(-c3nocc3-c3ccccc3)c2-c2nocc2-c2ccccc2)cc1.
What is the InChIKey of 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole?
The InChIKey is DDRWXYSAWPNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O3/c1-4-11-22(12-5-1)27-19-37-34-31(27)25-17-10-18-26(32-28(20-38-35-32)23-13-6-2-7-14-23)30(25)33-29(21-39-36-33)24-15-8-3-9-16-24/h1-21H.
What are the key properties of 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole?
3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole has a molecular weight of 507.55 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole is sourced from PubChem (CID 91007673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).