N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C15H19FN2O3 — CID 30405125

IUPACN'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-10(11-4-6-12(16)7-5-11)18-15(20)14(19)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1
InChIKeyGFSFIYIBJSPEDB-GXFFZTMASA-N
MW294.33 g/mol
LogP1.30
Rot. Bonds4

About N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 30405125) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID30405125
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-10(11-4-6-12(16)7-5-11)18-15(20)14(19)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1
InChIKeyGFSFIYIBJSPEDB-GXFFZTMASA-N
XLogP1.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 3156691
N'-[(2R)-1-hydroxybutan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7242422
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 30405125) is N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is C[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is GFSFIYIBJSPEDB-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10(11-4-6-12(16)7-5-11)18-15(20)14(19)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1.
What are the key properties of N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 294.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 30405125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).