N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide

C22H32N4O2 — CID 109481009

IUPACN'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide
SMILESCCC(CC)c1cc(CN/C(=N\C)N2CCOC(c3ccccc3C)C2)on1
InChIInChI=1S/C22H32N4O2/c1-5-17(6-2)20-13-18(28-25-20)14-24-22(23-4)26-11-12-27-21(15-26)19-10-8-7-9-16(19)3/h7-10,13,17,21H,5-6,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyUYWPGSPOQRWGEY-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.04
Rot. Bonds6

About N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide (PubChem CID 109481009) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide
PubChem CID109481009
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide
SMILESCCC(CC)c1cc(CN/C(=N\C)N2CCOC(c3ccccc3C)C2)on1
InChIInChI=1S/C22H32N4O2/c1-5-17(6-2)20-13-18(28-25-20)14-24-22(23-4)26-11-12-27-21(15-26)19-10-8-7-9-16(19)3/h7-10,13,17,21H,5-6,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyUYWPGSPOQRWGEY-UHFFFAOYSA-N
XLogP4.04
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide (CID 109481009) is N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide is CCC(CC)c1cc(CN/C(=N\C)N2CCOC(c3ccccc3C)C2)on1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is UYWPGSPOQRWGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-17(6-2)20-13-18(28-25-20)14-24-22(23-4)26-11-12-27-21(15-26)19-10-8-7-9-16(19)3/h7-10,13,17,21H,5-6,11-12,14-15H2,1-4H3,(H,23,24).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 384.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109481009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).