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

C18H23NO2 — CID 24720860

IUPACcyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone
SMILESCC1(C)COC(C(C)(C)c2ccc(C(=O)C3CC3)cc2)=N1
InChIInChI=1S/C18H23NO2/c1-17(2)11-21-16(19-17)18(3,4)14-9-7-13(8-10-14)15(20)12-5-6-12/h7-10,12H,5-6,11H2,1-4H3
InChIKeySOZLKVUYPDRIMD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds4

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

cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone (PubChem CID 24720860) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone
PubChem CID24720860
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namecyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone
SMILESCC1(C)COC(C(C)(C)c2ccc(C(=O)C3CC3)cc2)=N1
InChIInChI=1S/C18H23NO2/c1-17(2)11-21-16(19-17)18(3,4)14-9-7-13(8-10-14)15(20)12-5-6-12/h7-10,12H,5-6,11H2,1-4H3
InChIKeySOZLKVUYPDRIMD-UHFFFAOYSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone (CID 24720860) is cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone is CC1(C)COC(C(C)(C)c2ccc(C(=O)C3CC3)cc2)=N1.
What is the InChIKey of cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone?
The InChIKey is SOZLKVUYPDRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17(2)11-21-16(19-17)18(3,4)14-9-7-13(8-10-14)15(20)12-5-6-12/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone?
cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone has a molecular weight of 285.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]methanone is sourced from PubChem (CID 24720860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).