2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H15F3N4O2 — CID 106372821

IUPAC2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCc1nc(CNCC(C(N)=NO)C(F)(F)F)oc1C
InChIInChI=1S/C10H15F3N4O2/c1-5-6(2)19-8(16-5)4-15-3-7(9(14)17-18)10(11,12)13/h7,15,18H,3-4H2,1-2H3,(H2,14,17)
InChIKeyXWBHITKRMSNMKI-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.31
Rot. Bonds5

About 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 106372821) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID106372821
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCc1nc(CNCC(C(N)=NO)C(F)(F)F)oc1C
InChIInChI=1S/C10H15F3N4O2/c1-5-6(2)19-8(16-5)4-15-3-7(9(14)17-18)10(11,12)13/h7,15,18H,3-4H2,1-2H3,(H2,14,17)
InChIKeyXWBHITKRMSNMKI-UHFFFAOYSA-N
XLogP1.31
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.31
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 106372821) is 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is Cc1nc(CNCC(C(N)=NO)C(F)(F)F)oc1C.
What is the InChIKey of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is XWBHITKRMSNMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-5-6(2)19-8(16-5)4-15-3-7(9(14)17-18)10(11,12)13/h7,15,18H,3-4H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 280.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 106372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).