(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide

C17H20FN3O4 — CID 97465699

IUPAC(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NCC(=O)N2CCOCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C17H20FN3O4/c1-17(10-14(20-25-17)12-3-2-4-13(18)9-12)16(23)19-11-15(22)21-5-7-24-8-6-21/h2-4,9H,5-8,10-11H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyXURSWDXGIYSLIC-KRWDZBQOSA-N
MW349.36 g/mol
LogP0.68
Rot. Bonds4

About (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide

(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465699) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465699
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NCC(=O)N2CCOCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C17H20FN3O4/c1-17(10-14(20-25-17)12-3-2-4-13(18)9-12)16(23)19-11-15(22)21-5-7-24-8-6-21/h2-4,9H,5-8,10-11H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyXURSWDXGIYSLIC-KRWDZBQOSA-N
XLogP0.68
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide (CID 97465699) is (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide is C[C@@]1(C(=O)NCC(=O)N2CCOCC2)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is XURSWDXGIYSLIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-17(10-14(20-25-17)12-3-2-4-13(18)9-12)16(23)19-11-15(22)21-5-7-24-8-6-21/h2-4,9H,5-8,10-11H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).