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

C18H27N3O3 — CID 11099673

IUPAC2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2C(C3=NC(C)(C)CO3)C2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C18H27N3O3/c1-16(2)7-22-13(19-16)10-11(14-20-17(3,4)8-23-14)12(10)15-21-18(5,6)9-24-15/h10-12H,7-9H2,1-6H3
InChIKeyZUDUOVVZBYLZNJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.47
Rot. Bonds3

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

2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11099673) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11099673
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2C(C3=NC(C)(C)CO3)C2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C18H27N3O3/c1-16(2)7-22-13(19-16)10-11(14-20-17(3,4)8-23-14)12(10)15-21-18(5,6)9-24-15/h10-12H,7-9H2,1-6H3
InChIKeyZUDUOVVZBYLZNJ-UHFFFAOYSA-N
XLogP2.47
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Related Compounds

Tris(oxazolinyl)-cyclopropane
CID 91557750
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-[(1R,2R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10991642
(4R)-2-[2,3-bis[(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 11014262
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
(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11143291
2-[(1S,2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234029
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (CID 11099673) is 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-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)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2C(C3=NC(C)(C)CO3)C2C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZUDUOVVZBYLZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-16(2)7-22-13(19-16)10-11(14-20-17(3,4)8-23-14)12(10)15-21-18(5,6)9-24-15/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 333.43 g/mol, XLogP of 2.47, 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)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11099673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).