5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole

C20H21F5N2O4 — CID 167152077

IUPAC5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESCON1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)C(F)(F)C1
InChIInChI=1S/C20H21F5N2O4/c1-28-27-9-8-16(19(21,22)11-27)29-10-14-17(26-31-18(14)12-6-7-12)13-4-2-3-5-15(13)30-20(23,24)25/h2-5,12,16H,6-11H2,1H3
InChIKeyBASYCRLGUMATAN-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.91
Rot. Bonds7

About 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole

5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (PubChem CID 167152077) has the molecular formula C20H21F5N2O4 and a molecular weight of 448.39 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
PubChem CID167152077
Molecular FormulaC20H21F5N2O4
Molecular Weight448.39 g/mol
Exact Mass448.14
IUPAC Name5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESCON1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)C(F)(F)C1
InChIInChI=1S/C20H21F5N2O4/c1-28-27-9-8-16(19(21,22)11-27)29-10-14-17(26-31-18(14)12-6-7-12)13-4-2-3-5-15(13)30-20(23,24)25/h2-5,12,16H,6-11H2,1H3
InChIKeyBASYCRLGUMATAN-UHFFFAOYSA-N
XLogP4.91
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 174228818
4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 164566670
2-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]ethynyl thiohypoiodite
CID 164566746
5-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 138485793
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
methyl 4-[[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carbonyl]amino]benzoate
CID 162649712
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011
4-(3-azabicyclo[3.1.1]heptan-6-yloxymethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 155401450
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N'-hydroxypiperidine-1-carboximidamide
CID 88542273
3-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]-4-methoxybenzoic acid
CID 134532967
4-[[(3aS,4R)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 137401835
5-cyclopropyl-4-[(6-methyl-3-bicyclo[3.2.1]octanyl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 130282303

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (CID 167152077) is 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is CON1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)C(F)(F)C1.
What is the InChIKey of 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The InChIKey is BASYCRLGUMATAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N2O4/c1-28-27-9-8-16(19(21,22)11-27)29-10-14-17(26-31-18(14)12-6-7-12)13-4-2-3-5-15(13)30-20(23,24)25/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole has a molecular weight of 448.39 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(3,3-difluoro-1-methoxypiperidin-4-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 167152077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).