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

C14H17NO2 — CID 10633282

IUPAC1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-4-12(16)10-7-5-6-8-11(10)13-15-14(2,3)9-17-13/h5-8H,4,9H2,1-3H3
InChIKeyNNMXOYXQELQBBN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.83
Rot. Bonds3

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

1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one (PubChem CID 10633282) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one
PubChem CID10633282
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-4-12(16)10-7-5-6-8-11(10)13-15-14(2,3)9-17-13/h5-8H,4,9H2,1-3H3
InChIKeyNNMXOYXQELQBBN-UHFFFAOYSA-N
XLogP2.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one (CID 10633282) is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1C1=NC(C)(C)CO1.
What is the InChIKey of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one?
The InChIKey is NNMXOYXQELQBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-12(16)10-7-5-6-8-11(10)13-15-14(2,3)9-17-13/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one?
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 10633282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).