N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C15H22FN5O2 — CID 131653846

About N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 131653846) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
• PubChem CID: 131653846
• Molecular Formula: C15H22FN5O2
• Molecular Weight: 323.37 g/mol
• Exact Mass: 323.18
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
• SMILES: CN(C)CCNC(=O)C1CC2CN(c3ncc(F)cn3)CC1O2
• InChI: InChI=1S/C15H22FN5O2/c1-20(2)4-3-17-14(22)12-5-11-8-21(9-13(12)23-11)15-18-6-10(16)7-19-15/h6-7,11-13H,3-5,8-9H2,1-2H3,(H,17,22)
• InChIKey: VWMLCTLKHLXNNL-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.37
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 131653846) is N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CN(C)CCNC(=O)C1CC2CN(c3ncc(F)cn3)CC1O2.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?

The InChIKey is VWMLCTLKHLXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-20(2)4-3-17-14(22)12-5-11-8-21(9-13(12)23-11)15-18-6-10(16)7-19-15/h6-7,11-13H,3-5,8-9H2,1-2H3,(H,17,22).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?

N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 323.37 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 131653846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).