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

C36H36N2O2 — CID 155898661

IUPAC2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc2C2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C36H36N2O2/c1-23(2)33-21-39-35(37-33)29-17-15-27(25-11-7-5-8-12-25)19-31(29)32-20-28(26-13-9-6-10-14-26)16-18-30(32)36-38-34(22-40-36)24(3)4/h5-20,23-24,33-34H,21-22H2,1-4H3
InChIKeyYBMIMROAIHCUEK-UHFFFAOYSA-N
MW528.70 g/mol
LogP8.29
Rot. Bonds7

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

2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 155898661) has the molecular formula C36H36N2O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID155898661
Molecular FormulaC36H36N2O2
Molecular Weight528.70 g/mol
Exact Mass528.28
IUPAC Name2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc2C2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C36H36N2O2/c1-23(2)33-21-39-35(37-33)29-17-15-27(25-11-7-5-8-12-25)19-31(29)32-20-28(26-13-9-6-10-14-26)16-18-30(32)36-38-34(22-40-36)24(3)4/h5-20,23-24,33-34H,21-22H2,1-4H3
InChIKeyYBMIMROAIHCUEK-UHFFFAOYSA-N
XLogP8.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
N-[(3,5-diphenylphenyl)methyl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499054
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
3-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzene-1,2-diamine
CID 175071327
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
CID 127262986
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101018695
2,5-bis[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 11015736
[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 177406595
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
CID 58644968
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 155898661) is 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc2C2=NC(C(C)C)CO2)=N1.
What is the InChIKey of 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YBMIMROAIHCUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O2/c1-23(2)33-21-39-35(37-33)29-17-15-27(25-11-7-5-8-12-25)19-31(29)32-20-28(26-13-9-6-10-14-26)16-18-30(32)36-38-34(22-40-36)24(3)4/h5-20,23-24,33-34H,21-22H2,1-4H3.
What are the key properties of 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 528.70 g/mol, XLogP of 8.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155898661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).