N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C14H15F3N2O4 — CID 129397923

IUPACN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-1-3-10(4-2-9)19-12(21)11(20)18-7-13(22)5-6-23-8-13/h1-4,22H,5-8H2,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyADCJXAMBUDAXCL-ZDUSSCGKSA-N
MW332.28 g/mol
LogP0.91
Rot. Bonds3

About N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 129397923) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID129397923
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC NameN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-1-3-10(4-2-9)19-12(21)11(20)18-7-13(22)5-6-23-8-13/h1-4,22H,5-8H2,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyADCJXAMBUDAXCL-ZDUSSCGKSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 50.91
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

N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757807
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27452628
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
N'-(3-chloro-4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534235
N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
CID 129355855
3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 129399312
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 129397923) is N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is ADCJXAMBUDAXCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-1-3-10(4-2-9)19-12(21)11(20)18-7-13(22)5-6-23-8-13/h1-4,22H,5-8H2,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 332.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 129397923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).