(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide

C15H17F3N2O3 — CID 97225759

IUPAC(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11-4-2-1-3-9(11)7-13(21)20-8-10-5-6-12(23-10)14(19)22/h1-4,10,12H,5-8H2,(H2,19,22)(H,20,21)/t10-,12-/m1/s1
InChIKeyBQSKMFIPCBPXSZ-ZYHUDNBSSA-N
MW330.31 g/mol
LogP1.40
Rot. Bonds5

About (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide

(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 97225759) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
PubChem CID97225759
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11-4-2-1-3-9(11)7-13(21)20-8-10-5-6-12(23-10)14(19)22/h1-4,10,12H,5-8H2,(H2,19,22)(H,20,21)/t10-,12-/m1/s1
InChIKeyBQSKMFIPCBPXSZ-ZYHUDNBSSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91772069
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
CID 97007840
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120792352
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide (CID 97225759) is (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide is NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1.
What is the InChIKey of (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is BQSKMFIPCBPXSZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)11-4-2-1-3-9(11)7-13(21)20-8-10-5-6-12(23-10)14(19)22/h1-4,10,12H,5-8H2,(H2,19,22)(H,20,21)/t10-,12-/m1/s1.
What are the key properties of (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide?
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97225759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).