2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine

C19H26F2N4O3 — CID 109495601

IUPAC2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCc1c(C)noc1C
InChIInChI=1S/C19H26F2N4O3/c1-4-22-19(23-10-9-16-12(2)25-28-13(16)3)24-11-17(26)14-5-7-15(8-6-14)27-18(20)21/h5-8,17-18,26H,4,9-11H2,1-3H3,(H2,22,23,24)
InChIKeyINADIIQMQIORQW-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.72
Rot. Bonds9

About 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine (PubChem CID 109495601) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
PubChem CID109495601
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCc1c(C)noc1C
InChIInChI=1S/C19H26F2N4O3/c1-4-22-19(23-10-9-16-12(2)25-28-13(16)3)24-11-17(26)14-5-7-15(8-6-14)27-18(20)21/h5-8,17-18,26H,4,9-11H2,1-3H3,(H2,22,23,24)
InChIKeyINADIIQMQIORQW-UHFFFAOYSA-N
XLogP2.72
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 109495449
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(4-methylpentyl)guanidine
CID 109494657
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 109495533
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-(3-methoxyphenyl)ethyl]guanidine
CID 109494943
1-[3-(diethylamino)propyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109494877
1-(3-anilinopropyl)-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109495658
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109494884
1-[2-(cyclopropylmethoxy)ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109494965
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]guanidine;hydroiodide
CID 109495172
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109494981
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
CID 109495609
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 109494729

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine (CID 109495601) is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine is CCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCc1c(C)noc1C.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine?
The InChIKey is INADIIQMQIORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O3/c1-4-22-19(23-10-9-16-12(2)25-28-13(16)3)24-11-17(26)14-5-7-15(8-6-14)27-18(20)21/h5-8,17-18,26H,4,9-11H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine?
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine has a molecular weight of 396.44 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 109495601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).