cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone

C19H25NO2 — CID 57178800

IUPACcyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
SMILESCC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyJUEKBTWXIJZUIG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.37
Rot. Bonds4

About cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone

cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone (PubChem CID 57178800) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
PubChem CID57178800
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
SMILESCC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyJUEKBTWXIJZUIG-UHFFFAOYSA-N
XLogP4.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The IUPAC name of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone (CID 57178800) is cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone is CC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The InChIKey is JUEKBTWXIJZUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone has a molecular weight of 299.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone is sourced from PubChem (CID 57178800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).