2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one

C13H16N2O4 — CID 54568951

IUPAC2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(C2(C3=NC(C)(C)C(=O)O3)CC2)OC1=O
InChIInChI=1S/C13H16N2O4/c1-11(2)9(16)18-7(14-11)13(5-6-13)8-15-12(3,4)10(17)19-8/h5-6H2,1-4H3
InChIKeyZVWCUNCHVWKJID-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.23
Rot. Bonds2

About 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one

2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 54568951) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID54568951
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(C2(C3=NC(C)(C)C(=O)O3)CC2)OC1=O
InChIInChI=1S/C13H16N2O4/c1-11(2)9(16)18-7(14-11)13(5-6-13)8-15-12(3,4)10(17)19-8/h5-6H2,1-4H3
InChIKeyZVWCUNCHVWKJID-UHFFFAOYSA-N
XLogP1.23
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881964
2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881972
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 23056147
2,2-Bis(4,4-dimethyl-5-oxo-2-oxazoline-2-yl)propane
CID 53721736
2-[3-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)pentan-3-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 53972388
2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 57153210
4,4-Dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one
CID 122546379
4,4-dimethyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)propan-2-yl]-1,3-oxazol-5-one;ethane
CID 141893410
4,4-Dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane
CID 144606824
4,4-dimethyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)propan-2-yl]-1,3-oxazol-5-one
CID 141893411
Dimethyl 2,2'-(cyclopropane-1,1-diyl)(4S,4'S)-bis(4,5-dihydrooxazole-4-carboxylate)
CID 154725405
Dimethyl 2,2'-(cyclopropane-1,1-diyl)(4R,4'R)-bis(4,5-dihydrooxazole-4-carboxylate)
CID 154725991

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one (CID 54568951) is 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one is CC1(C)N=C(C2(C3=NC(C)(C)C(=O)O3)CC2)OC1=O.
What is the InChIKey of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is ZVWCUNCHVWKJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-11(2)9(16)18-7(14-11)13(5-6-13)8-15-12(3,4)10(17)19-8/h5-6H2,1-4H3.
What are the key properties of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 264.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 54568951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).