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

C10H7F3N4O2 — CID 150618692

IUPACN-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(NC3NN=CO3)nc2c1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4,9,17H,(H,15,16)
InChIKeyIVKWSGLDKJFVRZ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.11
Rot. Bonds2

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

N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (PubChem CID 150618692) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
PubChem CID150618692
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC NameN-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(NC3NN=CO3)nc2c1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4,9,17H,(H,15,16)
InChIKeyIVKWSGLDKJFVRZ-UHFFFAOYSA-N
XLogP2.11
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
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
N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297222
2-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 71915904
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
CID 67377799
1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
CID 81198454
2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 81197827
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 157459710
6-(trifluoromethyl)-1,4-benzoxazin-2-one
CID 154423234
2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine
CID 81196528
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-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (CID 150618692) is N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is FC(F)(F)c1ccc2oc(NC3NN=CO3)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The InChIKey is IVKWSGLDKJFVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)5-1-2-7-6(3-5)15-8(19-7)16-9-17-14-4-18-9/h1-4,9,17H,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 150618692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).