(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone

C15H13F4N3O4 — CID 176989638

IUPAC(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2cc(OC(F)(F)F)ccn2)n1)N1CCC(F)C1
InChIInChI=1S/C15H13F4N3O4/c16-9-2-4-22(6-9)14(23)11-7-24-13(21-11)8-25-12-5-10(1-3-20-12)26-15(17,18)19/h1,3,5,7,9H,2,4,6,8H2
InChIKeyFPVBWWVRXXIUJQ-UHFFFAOYSA-N
MW375.28 g/mol
LogP2.73
Rot. Bonds5

About (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone

(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989638) has the molecular formula C15H13F4N3O4 and a molecular weight of 375.28 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989638
Molecular FormulaC15H13F4N3O4
Molecular Weight375.28 g/mol
Exact Mass375.08
IUPAC Name(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2cc(OC(F)(F)F)ccn2)n1)N1CCC(F)C1
InChIInChI=1S/C15H13F4N3O4/c16-9-2-4-22(6-9)14(23)11-7-24-13(21-11)8-25-12-5-10(1-3-20-12)26-15(17,18)19/h1,3,5,7,9H,2,4,6,8H2
InChIKeyFPVBWWVRXXIUJQ-UHFFFAOYSA-N
XLogP2.73
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989676
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989419
3-azabicyclo[4.1.0]heptan-3-yl-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989644
[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989714
methanimine;[3-[[(Z)-prop-1-enyl]amino]pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989472
[2-[[6-(difluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 176989658
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
N-ethyl-N-[(3R)-1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 95205357
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588

Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone (CID 176989638) is (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2cc(OC(F)(F)F)ccn2)n1)N1CCC(F)C1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is FPVBWWVRXXIUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O4/c16-9-2-4-22(6-9)14(23)11-7-24-13(21-11)8-25-12-5-10(1-3-20-12)26-15(17,18)19/h1,3,5,7,9H,2,4,6,8H2.
What are the key properties of (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 375.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).