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

C15H13F3N2O5 — CID 95986776

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O5/c16-15(17,18)25-11-3-1-10(2-4-11)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
InChIKeyFMZUBNFCTDNBIX-GFCCVEGCSA-N
MW358.27 g/mol
LogP1.97
Rot. Bonds5

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

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 95986776) has the molecular formula C15H13F3N2O5 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID95986776
Molecular FormulaC15H13F3N2O5
Molecular Weight358.27 g/mol
Exact Mass358.08
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O5/c16-15(17,18)25-11-3-1-10(2-4-11)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
InChIKeyFMZUBNFCTDNBIX-GFCCVEGCSA-N
XLogP1.97
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986752
1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
N'-cyclopropyl-N-[2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 71798378
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 30835239
furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63949975
N'-cyclopentyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986740
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121018502
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 95986776) is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is FMZUBNFCTDNBIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13F3N2O5/c16-15(17,18)25-11-3-1-10(2-4-11)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-(trifluoromethoxy)phenyl]oxamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 358.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 95986776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).