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

C21H21FN2O3 — CID 25161482

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyQZKGTBHBJJJEPX-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.98
Rot. Bonds7

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 25161482) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID25161482
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyQZKGTBHBJJJEPX-UHFFFAOYSA-N
XLogP3.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 25161482) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is QZKGTBHBJJJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 25161482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).