1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one

C14H17NO2 — CID 10799530

IUPAC1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)12(16)10-4-6-11(7-5-10)13-15-8-9-17-13/h4-7H,8-9H2,1-3H3
InChIKeyYDQGGTPMIFBDQT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one

1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 10799530) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID10799530
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)12(16)10-4-6-11(7-5-10)13-15-8-9-17-13/h4-7H,8-9H2,1-3H3
InChIKeyYDQGGTPMIFBDQT-UHFFFAOYSA-N
XLogP2.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one (CID 10799530) is 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(C2=NCCO2)cc1.
What is the InChIKey of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is YDQGGTPMIFBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)12(16)10-4-6-11(7-5-10)13-15-8-9-17-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one?
1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10799530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).