N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine

C10H5F3N4O2 — CID 134284080

IUPACN-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(Nc3nnco3)nc2c1
InChIInChI=1S/C10H5F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4H,(H,15,16,17)
InChIKeyBKRXFRQPCOWYJJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.97
Rot. Bonds2

About N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine

N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (PubChem CID 134284080) has the molecular formula C10H5F3N4O2 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
PubChem CID134284080
Molecular FormulaC10H5F3N4O2
Molecular Weight270.17 g/mol
Exact Mass270.04
IUPAC NameN-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(Nc3nnco3)nc2c1
InChIInChI=1S/C10H5F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4H,(H,15,16,17)
InChIKeyBKRXFRQPCOWYJJ-UHFFFAOYSA-N
XLogP2.97
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (CID 134284080) is N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is FC(F)(F)c1ccc2oc(Nc3nnco3)nc2c1.
What is the InChIKey of N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The InChIKey is BKRXFRQPCOWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4H,(H,15,16,17).
What are the key properties of N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).