N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide

C22H25N3O3 — CID 119043329

IUPACN-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C22H25N3O3/c1-24(21(26)15-5-3-2-4-6-15)18-11-16-9-10-17(12-18)25(16)22(27)19-13-20(28-23-19)14-7-8-14/h2-6,13-14,16-18H,7-12H2,1H3
InChIKeyXLDPIGXRCPZTSO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.46
Rot. Bonds4

About N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide

N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide (PubChem CID 119043329) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
PubChem CID119043329
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C22H25N3O3/c1-24(21(26)15-5-3-2-4-6-15)18-11-16-9-10-17(12-18)25(16)22(27)19-13-20(28-23-19)14-7-8-14/h2-6,13-14,16-18H,7-12H2,1H3
InChIKeyXLDPIGXRCPZTSO-UHFFFAOYSA-N
XLogP3.46
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The IUPAC name of N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide (CID 119043329) is N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide.
What is the SMILES notation for N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The canonical SMILES for N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The InChIKey is XLDPIGXRCPZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-24(21(26)15-5-3-2-4-6-15)18-11-16-9-10-17(12-18)25(16)22(27)19-13-20(28-23-19)14-7-8-14/h2-6,13-14,16-18H,7-12H2,1H3.
What are the key properties of N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide is sourced from PubChem (CID 119043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).