1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C15H27N5O — CID 111964839

IUPAC1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\Cc1ccon1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-4-16-15(17-11-14-7-10-21-19-14)18-13-5-8-20(9-6-13)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H2,16,17,18)
InChIKeyYYGMTOCVGBFSLA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.60
Rot. Bonds5

About 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine

1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111964839) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111964839
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\Cc1ccon1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-4-16-15(17-11-14-7-10-21-19-14)18-13-5-8-20(9-6-13)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H2,16,17,18)
InChIKeyYYGMTOCVGBFSLA-UHFFFAOYSA-N
XLogP1.60
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
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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Related Compounds

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317772
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317635
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316742
1-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 97223485
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111316731
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111838042
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319023
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316730
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318453
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318039
1-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317711

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111964839) is 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine is CCN/C(=N\Cc1ccon1)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is YYGMTOCVGBFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-16-15(17-11-14-7-10-21-19-14)18-13-5-8-20(9-6-13)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 293.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111964839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).