[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C21H26N2O3 — CID 3244808

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)c1
InChIInChI=1S/C21H26N2O3/c1-20(2)10-15-11-21(3,12-20)13-23(15)19(24)17-9-18(26-22-17)14-6-5-7-16(8-14)25-4/h5-9,15H,10-13H2,1-4H3
InChIKeyKUPVMDKCRMNEOZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.39
Rot. Bonds3

About [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 3244808) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID3244808
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)c1
InChIInChI=1S/C21H26N2O3/c1-20(2)10-15-11-21(3,12-20)13-23(15)19(24)17-9-18(26-22-17)14-6-5-7-16(8-14)25-4/h5-9,15H,10-13H2,1-4H3
InChIKeyKUPVMDKCRMNEOZ-UHFFFAOYSA-N
XLogP4.39
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 3244808) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is COc1cccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is KUPVMDKCRMNEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-20(2)10-15-11-21(3,12-20)13-23(15)19(24)17-9-18(26-22-17)14-6-5-7-16(8-14)25-4/h5-9,15H,10-13H2,1-4H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 3244808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).