4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole

C20H22F2N2O2 — CID 67983724

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2noc(C3CC3)c2COC2CC3CCC(C2)N3)c1F
InChIInChI=1S/C20H22F2N2O2/c21-17-3-1-2-15(18(17)22)19-16(20(26-24-19)11-4-5-11)10-25-14-8-12-6-7-13(9-14)23-12/h1-3,11-14,23H,4-10H2
InChIKeyKXYHJWZWVPEIQB-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.30
Rot. Bonds5

About 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole

4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole (PubChem CID 67983724) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole
PubChem CID67983724
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2noc(C3CC3)c2COC2CC3CCC(C2)N3)c1F
InChIInChI=1S/C20H22F2N2O2/c21-17-3-1-2-15(18(17)22)19-16(20(26-24-19)11-4-5-11)10-25-14-8-12-6-7-13(9-14)23-12/h1-3,11-14,23H,4-10H2
InChIKeyKXYHJWZWVPEIQB-UHFFFAOYSA-N
XLogP4.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole with MolForge

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Related Compounds

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-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
CID 118421652
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
4-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(oxan-4-yl)-1,2-oxazole
CID 175738052
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-[[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
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoic acid
CID 67985241
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole (CID 67983724) is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole is Fc1cccc(-c2noc(C3CC3)c2COC2CC3CCC(C2)N3)c1F.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole?
The InChIKey is KXYHJWZWVPEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-17-3-1-2-15(18(17)22)19-16(20(26-24-19)11-4-5-11)10-25-14-8-12-6-7-13(9-14)23-12/h1-3,11-14,23H,4-10H2.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole?
4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole has a molecular weight of 360.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2,3-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 67983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).