2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine

C9H14F3N5O — CID 20567603

IUPAC2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine
SMILESNC(N)=NCCNCCc1ocnc1C(F)(F)F
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)7-6(18-5-17-7)1-2-15-3-4-16-8(13)14/h5,15H,1-4H2,(H4,13,14,16)
InChIKeyDLLHMGQTDLCMGR-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.10
Rot. Bonds6

About 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine

2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine (PubChem CID 20567603) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine
PubChem CID20567603
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine
SMILESNC(N)=NCCNCCc1ocnc1C(F)(F)F
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)7-6(18-5-17-7)1-2-15-3-4-16-8(13)14/h5,15H,1-4H2,(H4,13,14,16)
InChIKeyDLLHMGQTDLCMGR-UHFFFAOYSA-N
XLogP0.10
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine?
The IUPAC name of 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine (CID 20567603) is 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine is NC(N)=NCCNCCc1ocnc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine?
The InChIKey is DLLHMGQTDLCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c10-9(11,12)7-6(18-5-17-7)1-2-15-3-4-16-8(13)14/h5,15H,1-4H2,(H4,13,14,16).
What are the key properties of 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine?
2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine has a molecular weight of 265.24 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine is sourced from PubChem (CID 20567603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).