N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide

C21H20FN3O3 — CID 131889703

IUPACN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H20FN3O3/c22-18-7-3-1-5-16(18)19-13-15(28-24-19)14-23-21(26)17-6-2-4-8-20(17)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeySSGTWKKGRPULCE-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.25
Rot. Bonds5

About N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide (PubChem CID 131889703) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide
PubChem CID131889703
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H20FN3O3/c22-18-7-3-1-5-16(18)19-13-15(28-24-19)14-23-21(26)17-6-2-4-8-20(17)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeySSGTWKKGRPULCE-UHFFFAOYSA-N
XLogP3.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide (CID 131889703) is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide is O=C(NCc1cc(-c2ccccc2F)no1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is SSGTWKKGRPULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-18-7-3-1-5-16(18)19-13-15(28-24-19)14-23-21(26)17-6-2-4-8-20(17)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,26).
What are the key properties of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide?
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 381.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131889703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).