3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide

C17H19F3N2O4 — CID 166316770

IUPAC3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCOCC1(C(=O)NC2CCN(c3ccccc3C(F)(F)F)C2=O)COC1
InChIInChI=1S/C17H19F3N2O4/c1-25-8-16(9-26-10-16)15(24)21-12-6-7-22(14(12)23)13-5-3-2-4-11(13)17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24)
InChIKeyYVRRVCQAZQMVPQ-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.59
Rot. Bonds5

About 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide

3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide (PubChem CID 166316770) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide
PubChem CID166316770
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCOCC1(C(=O)NC2CCN(c3ccccc3C(F)(F)F)C2=O)COC1
InChIInChI=1S/C17H19F3N2O4/c1-25-8-16(9-26-10-16)15(24)21-12-6-7-22(14(12)23)13-5-3-2-4-11(13)17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24)
InChIKeyYVRRVCQAZQMVPQ-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide (CID 166316770) is 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide is COCC1(C(=O)NC2CCN(c3ccccc3C(F)(F)F)C2=O)COC1.
What is the InChIKey of 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide?
The InChIKey is YVRRVCQAZQMVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-25-8-16(9-26-10-16)15(24)21-12-6-7-22(14(12)23)13-5-3-2-4-11(13)17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24).
What are the key properties of 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide?
3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide has a molecular weight of 372.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide is sourced from PubChem (CID 166316770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).