4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one

C20H21F2NO4 — CID 121410994

IUPAC4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCc2c(-c3ccccc3OC(F)F)noc2C2CC2)CC1
InChIInChI=1S/C20H21F2NO4/c21-20(22)26-17-4-2-1-3-15(17)18-16(19(27-23-18)12-5-6-12)11-25-14-9-7-13(24)8-10-14/h1-4,12,14,20H,5-11H2
InChIKeyYUFMYURDSLQPOQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.85
Rot. Bonds7

About 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one

4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one (PubChem CID 121410994) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
PubChem CID121410994
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCc2c(-c3ccccc3OC(F)F)noc2C2CC2)CC1
InChIInChI=1S/C20H21F2NO4/c21-20(22)26-17-4-2-1-3-15(17)18-16(19(27-23-18)12-5-6-12)11-25-14-9-7-13(24)8-10-14/h1-4,12,14,20H,5-11H2
InChIKeyYUFMYURDSLQPOQ-UHFFFAOYSA-N
XLogP4.85
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
2-[(5S)-3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxylic acid
CID 130283168
6-[(3aR)-5-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyridine-3-carbaldehyde;methanol
CID 142312855
6-[(3aS,7aR)-5-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylic acid
CID 142312977
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-6-methylpyrimidine-4-carboxylic acid
CID 140625177
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-6-methylpyrimidine-4-carboxamide
CID 118407613
5-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 138485793
5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-1,2-oxazole
CID 118422182
4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane
CID 145100715
methyl 4-chloro-6-[3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate
CID 67983364
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 118407621
methyl 6-[(5S,7S)-5-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-2-azatricyclo[5.2.0.01,3]nonan-2-yl]pyridazine-3-carboxylate
CID 130282736

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The IUPAC name of 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one (CID 121410994) is 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one.
What is the SMILES notation for 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The canonical SMILES for 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one is O=C1CCC(OCc2c(-c3ccccc3OC(F)F)noc2C2CC2)CC1.
What is the InChIKey of 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The InChIKey is YUFMYURDSLQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c21-20(22)26-17-4-2-1-3-15(17)18-16(19(27-23-18)12-5-6-12)11-25-14-9-7-13(24)8-10-14/h1-4,12,14,20H,5-11H2.
What are the key properties of 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one has a molecular weight of 377.39 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one is sourced from PubChem (CID 121410994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).