1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine

C19H26N4O — CID 111586603

IUPAC1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(C(C)C)no1)NC1CC1c1ccccc1
InChIInChI=1S/C19H26N4O/c1-4-20-19(21-12-15-10-17(13(2)3)23-24-15)22-18-11-16(18)14-8-6-5-7-9-14/h5-10,13,16,18H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyLARWRDHQDUIYTA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.41
Rot. Bonds6

About 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine

1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 111586603) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID111586603
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(C(C)C)no1)NC1CC1c1ccccc1
InChIInChI=1S/C19H26N4O/c1-4-20-19(21-12-15-10-17(13(2)3)23-24-15)22-18-11-16(18)14-8-6-5-7-9-14/h5-10,13,16,18H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyLARWRDHQDUIYTA-UHFFFAOYSA-N
XLogP3.41
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-ethyl-3-propan-2-yl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111791923
1-ethyl-3-(2-phenylbutyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111586945
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584109
1-ethyl-3-propan-2-yl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111791922
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111251167
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111954848
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111586448
1-ethyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584784
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine (CID 111586603) is 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine is CCN/C(=N\Cc1cc(C(C)C)no1)NC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is LARWRDHQDUIYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-20-19(21-12-15-10-17(13(2)3)23-24-15)22-18-11-16(18)14-8-6-5-7-9-14/h5-10,13,16,18H,4,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111586603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).