2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole

C21H33N3O3 — CID 11100855

IUPAC2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2(C)C(C)(C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C21H33N3O3/c1-16(2)10-25-13(22-16)19(7)20(8,14-23-17(3,4)11-26-14)21(19,9)15-24-18(5,6)12-27-15/h10-12H2,1-9H3
InChIKeyFWGOBXGVTBPDSK-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.64
Rot. Bonds3

About 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11100855) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11100855
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2(C)C(C)(C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C21H33N3O3/c1-16(2)10-25-13(22-16)19(7)20(8,14-23-17(3,4)11-26-14)21(19,9)15-24-18(5,6)12-27-15/h10-12H2,1-9H3
InChIKeyFWGOBXGVTBPDSK-UHFFFAOYSA-N
XLogP3.64
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11099673
2-[(1R,3R)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234031
2-[(1S,3S)-2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234032
(4R)-2-[(1S,3R)-2,2-dimethyl-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102490073

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (CID 11100855) is 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2(C)C(C)(C3=NC(C)(C)CO3)C2(C)C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FWGOBXGVTBPDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(2)10-25-13(22-16)19(7)20(8,14-23-17(3,4)11-26-14)21(19,9)15-24-18(5,6)12-27-15/h10-12H2,1-9H3.
What are the key properties of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 375.51 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,2,3-trimethylcyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11100855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).