N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide

C17H22N4O3 — CID 71882995

IUPACN'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCc1cc(CO/N=C(/N)c2ccc(CN3CCOCC3)cc2)on1
InChIInChI=1S/C17H22N4O3/c1-13-10-16(24-19-13)12-23-20-17(18)15-4-2-14(3-5-15)11-21-6-8-22-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H2,18,20)
InChIKeyWFMDUPNNKIGYLE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.65
Rot. Bonds6

About N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide

N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide (PubChem CID 71882995) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
PubChem CID71882995
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCc1cc(CO/N=C(/N)c2ccc(CN3CCOCC3)cc2)on1
InChIInChI=1S/C17H22N4O3/c1-13-10-16(24-19-13)12-23-20-17(18)15-4-2-14(3-5-15)11-21-6-8-22-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H2,18,20)
InChIKeyWFMDUPNNKIGYLE-UHFFFAOYSA-N
XLogP1.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide (CID 71882995) is N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide is Cc1cc(CO/N=C(/N)c2ccc(CN3CCOCC3)cc2)on1.
What is the InChIKey of N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The InChIKey is WFMDUPNNKIGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-10-16(24-19-13)12-23-20-17(18)15-4-2-14(3-5-15)11-21-6-8-22-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H2,18,20).
What are the key properties of N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide has a molecular weight of 330.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 71882995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).