1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone

C15H19NO3 — CID 69288061

IUPAC1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCC2(CO)COC(C)=N2)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)14-5-3-13(4-6-14)7-8-15(9-17)10-19-12(2)16-15/h3-6,17H,7-10H2,1-2H3
InChIKeyOKBJSXJMJGDPNV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds5

About 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone

1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone (PubChem CID 69288061) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone
PubChem CID69288061
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCC2(CO)COC(C)=N2)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)14-5-3-13(4-6-14)7-8-15(9-17)10-19-12(2)16-15/h3-6,17H,7-10H2,1-2H3
InChIKeyOKBJSXJMJGDPNV-UHFFFAOYSA-N
XLogP2.00
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone (CID 69288061) is 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone is CC(=O)c1ccc(CCC2(CO)COC(C)=N2)cc1.
What is the InChIKey of 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone?
The InChIKey is OKBJSXJMJGDPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(18)14-5-3-13(4-6-14)7-8-15(9-17)10-19-12(2)16-15/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone?
1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone is sourced from PubChem (CID 69288061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).