(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone

C23H24N2O2 — CID 171941761

IUPAC(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3CC4CCC(C3)N4Cc3ccccc3)cc2o1
InChIInChI=1S/C23H24N2O2/c1-15-24-21-10-7-17(13-22(21)27-15)23(26)18-11-19-8-9-20(12-18)25(19)14-16-5-3-2-4-6-16/h2-7,10,13,18-20H,8-9,11-12,14H2,1H3
InChIKeyYZCQCKVKFOUVKE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.76
Rot. Bonds4

About (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone

(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone (PubChem CID 171941761) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
PubChem CID171941761
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3CC4CCC(C3)N4Cc3ccccc3)cc2o1
InChIInChI=1S/C23H24N2O2/c1-15-24-21-10-7-17(13-22(21)27-15)23(26)18-11-19-8-9-20(12-18)25(19)14-16-5-3-2-4-6-16/h2-7,10,13,18-20H,8-9,11-12,14H2,1H3
InChIKeyYZCQCKVKFOUVKE-UHFFFAOYSA-N
XLogP4.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 3-(2-methyl-1,3-benzoxazole-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941759
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methoxyquinolin-6-yl)methanone
CID 171943100
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
5-(8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonyl)-2-fluorobenzonitrile
CID 171946788
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-methylphenyl)methanone
CID 171950841
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-methylpyrimidin-2-yl)methanone
CID 171950606
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945871
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 171945071
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1,2-oxazol-4-yl)methanone
CID 171938730
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-fluoro-5-methoxyphenyl)methanone
CID 171947381
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,2-difluoro-1,3-benzodioxol-5-yl)methanone
CID 171948821

Frequently Asked Questions

What is the IUPAC name of (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone (CID 171941761) is (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone is Cc1nc2ccc(C(=O)C3CC4CCC(C3)N4Cc3ccccc3)cc2o1.
What is the InChIKey of (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is YZCQCKVKFOUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-24-21-10-7-17(13-22(21)27-15)23(26)18-11-19-8-9-20(12-18)25(19)14-16-5-3-2-4-6-16/h2-7,10,13,18-20H,8-9,11-12,14H2,1H3.
What are the key properties of (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone?
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 171941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).