4-(trifluoromethyl)-1,3-oxazole-2,5-diamine

C4H4F3N3O — CID 69333844

IUPAC4-(trifluoromethyl)-1,3-oxazole-2,5-diamine
SMILESNc1nc(C(F)(F)F)c(N)o1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H2,9,10)
InChIKeyMJTNXTWOPAEXRD-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.86
Rot. Bonds

About 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine

4-(trifluoromethyl)-1,3-oxazole-2,5-diamine (PubChem CID 69333844) has the molecular formula C4H4F3N3O and a molecular weight of 167.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-oxazole-2,5-diamine
PubChem CID69333844
Molecular FormulaC4H4F3N3O
Molecular Weight167.09 g/mol
Exact Mass167.03
IUPAC Name4-(trifluoromethyl)-1,3-oxazole-2,5-diamine
SMILESNc1nc(C(F)(F)F)c(N)o1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H2,9,10)
InChIKeyMJTNXTWOPAEXRD-UHFFFAOYSA-N
XLogP0.86
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine?
The IUPAC name of 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine (CID 69333844) is 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine?
The canonical SMILES for 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine is Nc1nc(C(F)(F)F)c(N)o1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine?
The InChIKey is MJTNXTWOPAEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H2,9,10).
What are the key properties of 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine?
4-(trifluoromethyl)-1,3-oxazole-2,5-diamine has a molecular weight of 167.09 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-oxazole-2,5-diamine is sourced from PubChem (CID 69333844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).