5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole

C21H24F2N2O2 — CID 130283153

IUPAC5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole
SMILESC[C@@H]1CC2CC(OCc3c(-c4cccc(F)c4F)noc3C3CC3)CC1N2
InChIInChI=1S/C21H24F2N2O2/c1-11-7-13-8-14(9-18(11)24-13)26-10-16-20(25-27-21(16)12-5-6-12)15-3-2-4-17(22)19(15)23/h2-4,11-14,18,24H,5-10H2,1H3/t11-,13?,14?,18?/m1/s1
InChIKeyKWRRBZYRCLJSOL-ZLNHHVGESA-N
MW374.43 g/mol
LogP4.54
Rot. Bonds5

About 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole

5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole (PubChem CID 130283153) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole
PubChem CID130283153
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole
SMILESC[C@@H]1CC2CC(OCc3c(-c4cccc(F)c4F)noc3C3CC3)CC1N2
InChIInChI=1S/C21H24F2N2O2/c1-11-7-13-8-14(9-18(11)24-13)26-10-16-20(25-27-21(16)12-5-6-12)15-3-2-4-17(22)19(15)23/h2-4,11-14,18,24H,5-10H2,1H3/t11-,13?,14?,18?/m1/s1
InChIKeyKWRRBZYRCLJSOL-ZLNHHVGESA-N
XLogP4.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole
CID 67983724
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
CID 118421652
5-cyclopropyl-4-[(6-methyl-3-bicyclo[3.2.1]octanyl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 130282303
2-[3-[[5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 67985012
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
5-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 138485793
tert-butyl (1R,5S)-3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 174228769
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011
4-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole;4-[[(1R,5S)-8-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole;2,6-dibromo-4-fluoro-1,3-benzothiazole
CID 158959138
5-cyclopropyl-4-[[(3S,5S,7S)-5-tricyclo[5.2.1.03,9]decanyl]oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 167152008
4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
CID 121410994
2-[(6R)-3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-5-carboxylic acid
CID 130282269

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole (CID 130283153) is 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole is C[C@@H]1CC2CC(OCc3c(-c4cccc(F)c4F)noc3C3CC3)CC1N2.
What is the InChIKey of 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole?
The InChIKey is KWRRBZYRCLJSOL-ZLNHHVGESA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-11-7-13-8-14(9-18(11)24-13)26-10-16-20(25-27-21(16)12-5-6-12)15-3-2-4-17(22)19(15)23/h2-4,11-14,18,24H,5-10H2,1H3/t11-,13?,14?,18?/m1/s1.
What are the key properties of 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole?
5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole has a molecular weight of 374.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 130283153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).