(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide

C15H14FN3O4 — CID 97457632

IUPAC(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21)/t13-,14+/m1/s1
InChIKeyLFKKQMHYFQBCHA-KGLIPLIRSA-N
MW319.29 g/mol
LogP1.35
Rot. Bonds3

About (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 97457632) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
PubChem CID97457632
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21)/t13-,14+/m1/s1
InChIKeyLFKKQMHYFQBCHA-KGLIPLIRSA-N
XLogP1.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(4-methylphenyl)-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 75538206
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 71689388
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97458161
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide (CID 97457632) is (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is LFKKQMHYFQBCHA-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21)/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).