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

C13H11F3N4O2 — CID 134297222

IUPACN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESCC(C)c1nnc(Nc2nc3cc(C(F)(F)F)ccc3o2)o1
InChIInChI=1S/C13H11F3N4O2/c1-6(2)10-19-20-12(22-10)18-11-17-8-5-7(13(14,15)16)3-4-9(8)21-11/h3-6H,1-2H3,(H,17,18,20)
InChIKeyDZYQEYDUIREDKX-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.10
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (PubChem CID 134297222) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
PubChem CID134297222
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC NameN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESCC(C)c1nnc(Nc2nc3cc(C(F)(F)F)ccc3o2)o1
InChIInChI=1S/C13H11F3N4O2/c1-6(2)10-19-20-12(22-10)18-11-17-8-5-7(13(14,15)16)3-4-9(8)21-11/h3-6H,1-2H3,(H,17,18,20)
InChIKeyDZYQEYDUIREDKX-UHFFFAOYSA-N
XLogP4.10
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297309
N-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297386
4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-2-amine
CID 81197499
N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 150618692
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
CID 67377799
2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169163359
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 157459710
2-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 71915904
2-(3,5-dichloro-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 51030999
4-methyl-3-[2-[4-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 12945546

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (CID 134297222) is N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is CC(C)c1nnc(Nc2nc3cc(C(F)(F)F)ccc3o2)o1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The InChIKey is DZYQEYDUIREDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c1-6(2)10-19-20-12(22-10)18-11-17-8-5-7(13(14,15)16)3-4-9(8)21-11/h3-6H,1-2H3,(H,17,18,20).
What are the key properties of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine has a molecular weight of 312.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134297222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).