2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide

C15H17FN2O2 — CID 23654729

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide
SMILESCc1cc(F)ccc1CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C15H17FN2O2/c1-9-6-13(16)5-4-12(9)8-17-15(19)7-14-10(2)18-20-11(14)3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyJQUOUYWQUNNETD-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.60
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide (PubChem CID 23654729) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide
PubChem CID23654729
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide
SMILESCc1cc(F)ccc1CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C15H17FN2O2/c1-9-6-13(16)5-4-12(9)8-17-15(19)7-14-10(2)18-20-11(14)3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyJQUOUYWQUNNETD-UHFFFAOYSA-N
XLogP2.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide (CID 23654729) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide is Cc1cc(F)ccc1CNC(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide?
The InChIKey is JQUOUYWQUNNETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-6-13(16)5-4-12(9)8-17-15(19)7-14-10(2)18-20-11(14)3/h4-6H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide has a molecular weight of 276.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluoro-2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 23654729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).