N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C15H13F3N2O4 — CID 95986774

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)13(22)19-7-12(21)9-5-6-24-8-9/h1-6,8,12,21H,7H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyPNXSBXKMAXTAAJ-GFCCVEGCSA-N
MW342.27 g/mol
LogP2.09
Rot. Bonds4

About N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 95986774) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID95986774
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)13(22)19-7-12(21)9-5-6-24-8-9/h1-6,8,12,21H,7H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyPNXSBXKMAXTAAJ-GFCCVEGCSA-N
XLogP2.09
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986752
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 95986774) is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is PNXSBXKMAXTAAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)13(22)19-7-12(21)9-5-6-24-8-9/h1-6,8,12,21H,7H2,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 342.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 95986774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).