5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole

C24H20N2O2 — CID 139240735

IUPAC5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(c3cccc(C4=NOC(c5ccccc5)C4)c3)=NO2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-8-17(9-4-1)23-15-21(25-27-23)19-12-7-13-20(14-19)22-16-24(28-26-22)18-10-5-2-6-11-18/h1-14,23-24H,15-16H2
InChIKeySRSMLQLAYSQHFD-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.42
Rot. Bonds4

About 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole

5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 139240735) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID139240735
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(c3cccc(C4=NOC(c5ccccc5)C4)c3)=NO2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-8-17(9-4-1)23-15-21(25-27-23)19-12-7-13-20(14-19)22-16-24(28-26-22)18-10-5-2-6-11-18/h1-14,23-24H,15-16H2
InChIKeySRSMLQLAYSQHFD-UHFFFAOYSA-N
XLogP5.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
CID 71415133
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
CID 25115791
(5R,18R)-4,7,10,13,16,19-hexaoxa-3,20-diazatetracyclo[20.3.1.12,5.118,21]octacosa-1(26),2,20,22,24-pentaene-6,17-dione
CID 177408482
ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate
CID 25131512
3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
CID 90790732
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 161145249
4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
CID 136961717
1-methyl-6-oxo-5-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pyridazine-3-carboxylic acid
CID 129386432
6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
CID 136920119

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole (CID 139240735) is 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole is c1ccc(C2CC(c3cccc(C4=NOC(c5ccccc5)C4)c3)=NO2)cc1.
What is the InChIKey of 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is SRSMLQLAYSQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-8-17(9-4-1)23-15-21(25-27-23)19-12-7-13-20(14-19)22-16-24(28-26-22)18-10-5-2-6-11-18/h1-14,23-24H,15-16H2.
What are the key properties of 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 368.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 139240735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).