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

C31H26N2O2 — CID 3701334

IUPAC2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2N=C(CC3=NC(c4ccccc4)C(c4ccccc4)O3)OC2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2
InChIKeyBVEHHQYXICTXGR-UHFFFAOYSA-N
MW458.56 g/mol
LogP7.20
Rot. Bonds6

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

2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 3701334) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID3701334
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2N=C(CC3=NC(c4ccccc4)C(c4ccccc4)O3)OC2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2
InChIKeyBVEHHQYXICTXGR-UHFFFAOYSA-N
XLogP7.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(4S,4'S)-2,2'-(1,3-Bis[4-(t-butyl)phenyl)propane-2,2-diyl]bis(4-phenyl-4,5-dihydrooxazole) (S)-BTBBPh-SaBOX
CID 71608540
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
2-Ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12755427
copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
CID 15953435
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
(2S)-N-benzhydryl-N-benzyl-3-fluoro-2-phenylmethoxypropan-1-amine
CID 176439000
(4R,5S)-4,5-diphenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 177851342

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 3701334) is 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is c1ccc(C2N=C(CC3=NC(c4ccccc4)C(c4ccccc4)O3)OC2c2ccccc2)cc1.
What is the InChIKey of 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BVEHHQYXICTXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2.
What are the key properties of 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 458.56 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3701334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).