3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole

C29H32ClN3O — CID 142582543

IUPAC3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole
SMILESCc1ccc(N2C3CCC2CC2(CC(c4c(-c5c(C)cccc5Cl)noc4C4CC4)C2)C3)nc1
InChIInChI=1S/C29H32ClN3O/c1-17-6-11-24(31-16-17)33-21-9-10-22(33)15-29(14-21)12-20(13-29)26-27(32-34-28(26)19-7-8-19)25-18(2)4-3-5-23(25)30/h3-6,11,16,19-22H,7-10,12-15H2,1-2H3
InChIKeyLFTDNZJOGHGZQX-UHFFFAOYSA-N
MW474.05 g/mol
LogP7.58
Rot. Bonds4

About 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole

3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole (PubChem CID 142582543) has the molecular formula C29H32ClN3O and a molecular weight of 474.05 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole
PubChem CID142582543
Molecular FormulaC29H32ClN3O
Molecular Weight474.05 g/mol
Exact Mass473.22
IUPAC Name3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole
SMILESCc1ccc(N2C3CCC2CC2(CC(c4c(-c5c(C)cccc5Cl)noc4C4CC4)C2)C3)nc1
InChIInChI=1S/C29H32ClN3O/c1-17-6-11-24(31-16-17)33-21-9-10-22(33)15-29(14-21)12-20(13-29)26-27(32-34-28(26)19-7-8-19)25-18(2)4-3-5-23(25)30/h3-6,11,16,19-22H,7-10,12-15H2,1-2H3
InChIKeyLFTDNZJOGHGZQX-UHFFFAOYSA-N
XLogP7.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole with MolForge

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Related Compounds

6-[3'-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-yl]pyridine-3-carboxylic acid
CID 138591992
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
CID 138592211
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 166996982
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[7-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582527
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830029
6-[2-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-1-methylindole-3-carboxylic acid
CID 162491306
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
3-[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-yl]benzoic acid
CID 146364155
methyl 5-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]pyrazine-2-carboxylate
CID 135373696
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
5-[5-[3-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-1,2,4-oxadiazol-3-yl]thiophene-2-carboxylic acid
CID 166876532

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole (CID 142582543) is 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole is Cc1ccc(N2C3CCC2CC2(CC(c4c(-c5c(C)cccc5Cl)noc4C4CC4)C2)C3)nc1.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole?
The InChIKey is LFTDNZJOGHGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O/c1-17-6-11-24(31-16-17)33-21-9-10-22(33)15-29(14-21)12-20(13-29)26-27(32-34-28(26)19-7-8-19)25-18(2)4-3-5-23(25)30/h3-6,11,16,19-22H,7-10,12-15H2,1-2H3.
What are the key properties of 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole?
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole has a molecular weight of 474.05 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[8-(5-methyl-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-yl]-1,2-oxazole is sourced from PubChem (CID 142582543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).