1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone

C14H15NO3 — CID 704120

IUPAC1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C14H15NO3/c1-9-14(11(3)18-15-9)8-17-13-6-4-12(5-7-13)10(2)16/h4-7H,8H2,1-3H3
InChIKeySFDGUZHAGIATHW-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 704120) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
PubChem CID704120
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C14H15NO3/c1-9-14(11(3)18-15-9)8-17-13-6-4-12(5-7-13)10(2)16/h4-7H,8H2,1-3H3
InChIKeySFDGUZHAGIATHW-UHFFFAOYSA-N
XLogP3.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone (CID 704120) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is SFDGUZHAGIATHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-14(11(3)18-15-9)8-17-13-6-4-12(5-7-13)10(2)16/h4-7H,8H2,1-3H3.
What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone?
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 245.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 704120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).