3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one

C18H24N2O3 — CID 58201704

IUPAC3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C2(c3cc(CC(=O)C(C)(C)C)on3)CCCC2)o1
InChIInChI=1S/C18H24N2O3/c1-12-19-11-16(22-12)18(7-5-6-8-18)14-9-13(23-20-14)10-15(21)17(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyIOKBWIZBVJJGBZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.99
Rot. Bonds4

About 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one

3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one (PubChem CID 58201704) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
PubChem CID58201704
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C2(c3cc(CC(=O)C(C)(C)C)on3)CCCC2)o1
InChIInChI=1S/C18H24N2O3/c1-12-19-11-16(22-12)18(7-5-6-8-18)14-9-13(23-20-14)10-15(21)17(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyIOKBWIZBVJJGBZ-UHFFFAOYSA-N
XLogP3.99
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one (CID 58201704) is 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one is Cc1ncc(C2(c3cc(CC(=O)C(C)(C)C)on3)CCCC2)o1.
What is the InChIKey of 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one?
The InChIKey is IOKBWIZBVJJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-19-11-16(22-12)18(7-5-6-8-18)14-9-13(23-20-14)10-15(21)17(2,3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one?
3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one has a molecular weight of 316.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one is sourced from PubChem (CID 58201704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).