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

C18H22FN3O3 — CID 118773603

IUPACN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)NCc1cc(-c2ccccc2F)no1)N1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-2-17(22-7-9-24-10-8-22)18(23)20-12-13-11-16(21-25-13)14-5-3-4-6-15(14)19/h3-6,11,17H,2,7-10,12H2,1H3,(H,20,23)
InChIKeyLGIYFFVNUIVGLP-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.21
Rot. Bonds6

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

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide (PubChem CID 118773603) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide
PubChem CID118773603
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)NCc1cc(-c2ccccc2F)no1)N1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-2-17(22-7-9-24-10-8-22)18(23)20-12-13-11-16(21-25-13)14-5-3-4-6-15(14)19/h3-6,11,17H,2,7-10,12H2,1H3,(H,20,23)
InChIKeyLGIYFFVNUIVGLP-UHFFFAOYSA-N
XLogP2.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.21
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-ylbutanamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide (CID 118773603) is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide is CCC(C(=O)NCc1cc(-c2ccccc2F)no1)N1CCOCC1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide?
The InChIKey is LGIYFFVNUIVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-2-17(22-7-9-24-10-8-22)18(23)20-12-13-11-16(21-25-13)14-5-3-4-6-15(14)19/h3-6,11,17H,2,7-10,12H2,1H3,(H,20,23).
What are the key properties of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide?
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide has a molecular weight of 347.39 g/mol, XLogP of 2.21, 6 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-ylbutanamide is sourced from PubChem (CID 118773603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).