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

C20H25N3O2 — CID 118421652

IUPAC4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ncccc1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2
InChIInChI=1S/C20H25N3O2/c1-12-17(3-2-8-21-12)19-18(20(25-23-19)13-4-5-13)11-24-16-9-14-6-7-15(10-16)22-14/h2-3,8,13-16,22H,4-7,9-11H2,1H3/t14-,15?,16?/m0/s1
InChIKeyNDXCTXLLGIZIFB-FHERZECASA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds5

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

4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 118421652) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID118421652
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ncccc1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2
InChIInChI=1S/C20H25N3O2/c1-12-17(3-2-8-21-12)19-18(20(25-23-19)13-4-5-13)11-24-16-9-14-6-7-15(10-16)22-14/h2-3,8,13-16,22H,4-7,9-11H2,1H3/t14-,15?,16?/m0/s1
InChIKeyNDXCTXLLGIZIFB-FHERZECASA-N
XLogP3.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole
CID 67983724
5-cyclopropyl-3-(2,3-difluorophenyl)-4-[[(6R)-6-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole
CID 130283153
4-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(oxan-4-yl)-1,2-oxazole
CID 175738052
4-[[(3S)-9-azatricyclo[4.2.1.02,4]non-1(8)-en-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole
CID 163686965
5-cyclopropyl-4-[(6-methyl-3-bicyclo[3.2.1]octanyl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 130282303
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
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
3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68675770
5-cyclopropyl-4-[[(3S,5S,7S)-5-tricyclo[5.2.1.03,9]decanyl]oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 167152008
3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 166997139
methyl 4-[(5S)-3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoate
CID 118421767

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole (CID 118421652) is 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole is Cc1ncccc1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2.
What is the InChIKey of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is NDXCTXLLGIZIFB-FHERZECASA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-17(3-2-8-21-12)19-18(20(25-23-19)13-4-5-13)11-24-16-9-14-6-7-15(10-16)22-14/h2-3,8,13-16,22H,4-7,9-11H2,1H3/t14-,15?,16?/m0/s1.
What are the key properties of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole?
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 339.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 118421652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).