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

C15H17FN2O2 — CID 177319649

IUPAC2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCc2ncc(C)o2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-5-12(13(16)8-10)15(19)18(3)7-6-14-17-9-11(2)20-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGHKKBFYKNDRJTL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.75
Rot. Bonds4

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

2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 177319649) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID177319649
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCc2ncc(C)o2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-5-12(13(16)8-10)15(19)18(3)7-6-14-17-9-11(2)20-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGHKKBFYKNDRJTL-UHFFFAOYSA-N
XLogP2.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 177319649) is 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1ccc(C(=O)N(C)CCc2ncc(C)o2)c(F)c1.
What is the InChIKey of 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is GHKKBFYKNDRJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-4-5-12(13(16)8-10)15(19)18(3)7-6-14-17-9-11(2)20-14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 276.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 177319649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).