2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone

C20H24N2O4 — CID 7780620

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(C(=O)CC3=NC(C)(C)CO3)cc2)=N1
InChIInChI=1S/C20H24N2O4/c1-19(2)11-25-17(21-19)9-15(23)13-5-7-14(8-6-13)16(24)10-18-22-20(3,4)12-26-18/h5-8H,9-12H2,1-4H3
InChIKeyIDIGBYVGFVYANL-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.25
Rot. Bonds6

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone (PubChem CID 7780620) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone
PubChem CID7780620
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(C(=O)CC3=NC(C)(C)CO3)cc2)=N1
InChIInChI=1S/C20H24N2O4/c1-19(2)11-25-17(21-19)9-15(23)13-5-7-14(8-6-13)16(24)10-18-22-20(3,4)12-26-18/h5-8H,9-12H2,1-4H3
InChIKeyIDIGBYVGFVYANL-UHFFFAOYSA-N
XLogP3.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-naphthalen-2-one
CID 455270
1-(4-(Tert-butyl)phenyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)ethanone
CID 7471343
Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 7471340
2-(4,4-dimethyl-5H-1,3-oxazol-3-ium-2-yl)-1-phenylethanone;hydrogen sulfate
CID 139191143
2-(4,4-Dimethyl(1,3-oxazolin-2-yl))-1-(2-fluorophenyl)ethan-1-one
CID 16456908
2-(4,5-Dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 116826261
2-(4,5-Dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 116826265
2-(4,5-Dihydro-1,3-oxazol-2-yl)-1-(2-fluorophenyl)ethanone
CID 116826360
2-(4,5-Dihydro-1,3-oxazol-2-yl)-1-(3-fluorophenyl)ethanone
CID 116826361
4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
CID 18429014
[4-(4,5-Dihydro-1,3-oxazole-2-carbonyl)phenyl]-(4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 20221175

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone (CID 7780620) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone is CC1(C)COC(CC(=O)c2ccc(C(=O)CC3=NC(C)(C)CO3)cc2)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone?
The InChIKey is IDIGBYVGFVYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-19(2)11-25-17(21-19)9-15(23)13-5-7-14(8-6-13)16(24)10-18-22-20(3,4)12-26-18/h5-8H,9-12H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone has a molecular weight of 356.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)acetyl]phenyl]ethanone is sourced from PubChem (CID 7780620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).