(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide

C15H15F2N3O3 — CID 97330305

IUPAC(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)Nc2cc(-c3c(F)cccc3F)no2)C1
InChIInChI=1S/C15H15F2N3O3/c1-20-5-6-22-12(8-20)15(21)18-13-7-11(19-23-13)14-9(16)3-2-4-10(14)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLHZROAQIVUNTLC-LBPRGKRZSA-N
MW323.30 g/mol
LogP1.89
Rot. Bonds3

About (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide

(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 97330305) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide
PubChem CID97330305
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)Nc2cc(-c3c(F)cccc3F)no2)C1
InChIInChI=1S/C15H15F2N3O3/c1-20-5-6-22-12(8-20)15(21)18-13-7-11(19-23-13)14-9(16)3-2-4-10(14)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLHZROAQIVUNTLC-LBPRGKRZSA-N
XLogP1.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 71973219
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
CID 97109067
(2R)-4-methyl-N-[[2-[[(2S)-4-methylmorpholine-2-carbonyl]amino]-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 97353215
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
CID 75382154
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide (CID 97330305) is (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide is CN1CCO[C@H](C(=O)Nc2cc(-c3c(F)cccc3F)no2)C1.
What is the InChIKey of (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is LHZROAQIVUNTLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-20-5-6-22-12(8-20)15(21)18-13-7-11(19-23-13)14-9(16)3-2-4-10(14)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).