1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

C17H26N4O3 — CID 166389980

IUPAC1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)NCc2cnc3n2CCOC3)CC1
InChIInChI=1S/C17H26N4O3/c1-20(2)17(23)13-5-3-12(4-6-13)16(22)19-10-14-9-18-15-11-24-8-7-21(14)15/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,22)
InChIKeyPLVZWSVTNJTCHT-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.92
Rot. Bonds4

About 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (PubChem CID 166389980) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
PubChem CID166389980
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)NCc2cnc3n2CCOC3)CC1
InChIInChI=1S/C17H26N4O3/c1-20(2)17(23)13-5-3-12(4-6-13)16(22)19-10-14-9-18-15-11-24-8-7-21(14)15/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,22)
InChIKeyPLVZWSVTNJTCHT-UHFFFAOYSA-N
XLogP0.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (CID 166389980) is 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is CN(C)C(=O)C1CCC(C(=O)NCc2cnc3n2CCOC3)CC1.
What is the InChIKey of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The InChIKey is PLVZWSVTNJTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(2)17(23)13-5-3-12(4-6-13)16(22)19-10-14-9-18-15-11-24-8-7-21(14)15/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 166389980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).