2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide

C18H24N4O2 — CID 119893511

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
SMILESCN(C)c1nc2cc(NC(=O)CC3CC4CCC(C3)N4)ccc2o1
InChIInChI=1S/C18H24N4O2/c1-22(2)18-21-15-10-14(5-6-16(15)24-18)20-17(23)9-11-7-12-3-4-13(8-11)19-12/h5-6,10-13,19H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyUDRYYMXQBHKGBT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.75
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 119893511) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
PubChem CID119893511
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
SMILESCN(C)c1nc2cc(NC(=O)CC3CC4CCC(C3)N4)ccc2o1
InChIInChI=1S/C18H24N4O2/c1-22(2)18-21-15-10-14(5-6-16(15)24-18)20-17(23)9-11-7-12-3-4-13(8-11)19-12/h5-6,10-13,19H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyUDRYYMXQBHKGBT-UHFFFAOYSA-N
XLogP2.75
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide (CID 119893511) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide is CN(C)c1nc2cc(NC(=O)CC3CC4CCC(C3)N4)ccc2o1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is UDRYYMXQBHKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)18-21-15-10-14(5-6-16(15)24-18)20-17(23)9-11-7-12-3-4-13(8-11)19-12/h5-6,10-13,19H,3-4,7-9H2,1-2H3,(H,20,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 119893511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).