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

C15H20N2O2 — CID 45110112

IUPACN-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide
SMILESCCC1(C)CC(c2cccc(CNC(C)=O)c2)=NO1
InChIInChI=1S/C15H20N2O2/c1-4-15(3)9-14(17-19-15)13-7-5-6-12(8-13)10-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyBRMLQAHPZRETFJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.62
Rot. Bonds4

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

N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide (PubChem CID 45110112) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide
PubChem CID45110112
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide
SMILESCCC1(C)CC(c2cccc(CNC(C)=O)c2)=NO1
InChIInChI=1S/C15H20N2O2/c1-4-15(3)9-14(17-19-15)13-7-5-6-12(8-13)10-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyBRMLQAHPZRETFJ-UHFFFAOYSA-N
XLogP2.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide (CID 45110112) is N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide is CCC1(C)CC(c2cccc(CNC(C)=O)c2)=NO1.
What is the InChIKey of N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide?
The InChIKey is BRMLQAHPZRETFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(3)9-14(17-19-15)13-7-5-6-12(8-13)10-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide?
N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-ethyl-5-methyl-4H-1,2-oxazol-3-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 45110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).