2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C19H19NO2 — CID 11033697

IUPAC2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2OC2(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyGIMTWGCQOVSGSM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.54
Rot. Bonds3

About 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11033697) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11033697
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2OC2(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyGIMTWGCQOVSGSM-UHFFFAOYSA-N
XLogP3.54
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102371178
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
2-[(2S)-1-benzylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134858997
2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101079470
4,4-dimethyl-2-phenylsulfanyl-5H-1,3-oxazole
CID 13047578
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
2-[(2R,3S)-3-(2-chlorophenyl)-2-methyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102510429
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
2-[(2R,3R)-1-[(1R)-2-methoxy-1-phenylethyl]-3-phenylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101334198
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
CID 139090329

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 11033697) is 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2OC2(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GIMTWGCQOVSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 293.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11033697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).