N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide

C15H19F3N2O3 — CID 124847956

IUPACN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
SMILESCOC[C@H](NC(=O)N1CCCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-10-13(19-14(21)20-7-2-3-8-23-20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyLXBZFQBJSBVYDL-ZDUSSCGKSA-N
MW332.32 g/mol
LogP3.13
Rot. Bonds4

About N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide

N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide (PubChem CID 124847956) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
PubChem CID124847956
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
SMILESCOC[C@H](NC(=O)N1CCCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-10-13(19-14(21)20-7-2-3-8-23-20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyLXBZFQBJSBVYDL-ZDUSSCGKSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-2-ynylurea
CID 95771613
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
CID 86971896
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
1-(1-benzylpiperidin-4-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86972447
3-(4-fluorophenyl)sulfonyl-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 86970872
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86970868
tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
CID 59536894
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
CID 111428204

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide (CID 124847956) is N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide is COC[C@H](NC(=O)N1CCCCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide?
The InChIKey is LXBZFQBJSBVYDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-10-13(19-14(21)20-7-2-3-8-23-20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide?
N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide is sourced from PubChem (CID 124847956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).