1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine

C20H30N6O3 — CID 111309564

IUPAC1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1nc(C)no1)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C20H30N6O3/c1-4-21-20(23-14-19-24-15(2)25-29-19)22-13-18(26-9-11-28-12-10-26)16-5-7-17(27-3)8-6-16/h5-8,18H,4,9-14H2,1-3H3,(H2,21,22,23)
InChIKeySRKDGVFZCGXHMK-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.52
Rot. Bonds8

About 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine

1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine (PubChem CID 111309564) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
PubChem CID111309564
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Name1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1nc(C)no1)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C20H30N6O3/c1-4-21-20(23-14-19-24-15(2)25-29-19)22-13-18(26-9-11-28-12-10-26)16-5-7-17(27-3)8-6-16/h5-8,18H,4,9-14H2,1-3H3,(H2,21,22,23)
InChIKeySRKDGVFZCGXHMK-UHFFFAOYSA-N
XLogP1.52
TPSA97.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111309558
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111309423
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257928
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111216037
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022143
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111606918
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969929
N-ethyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309369
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111309128
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111837815
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713099

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine (CID 111309564) is 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine is CCN/C(=N\Cc1nc(C)no1)NCC(c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine?
The InChIKey is SRKDGVFZCGXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-4-21-20(23-14-19-24-15(2)25-29-19)22-13-18(26-9-11-28-12-10-26)16-5-7-17(27-3)8-6-16/h5-8,18H,4,9-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine?
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine has a molecular weight of 402.50 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111309564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).