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

C10H6F3N5O — CID 134297309

IUPACN-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(Nc3ncn[nH]3)nc2c1
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)5-1-2-7-6(3-5)16-9(19-7)17-8-14-4-15-18-8/h1-4H,(H2,14,15,16,17,18)
InChIKeyFQROLJWDCMNZGB-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.71
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (PubChem CID 134297309) has the molecular formula C10H6F3N5O and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
PubChem CID134297309
Molecular FormulaC10H6F3N5O
Molecular Weight269.19 g/mol
Exact Mass269.05
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc2oc(Nc3ncn[nH]3)nc2c1
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)5-1-2-7-6(3-5)16-9(19-7)17-8-14-4-15-18-8/h1-4H,(H2,14,15,16,17,18)
InChIKeyFQROLJWDCMNZGB-UHFFFAOYSA-N
XLogP2.71
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,3-dihydro-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 150618692
N-(5-fluoro-1,3-benzoxazol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazol-2-amine
CID 176936371
2-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 138001082
6-(trifluoromethyl)-1,4-benzoxazin-2-one
CID 154423234
cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
CID 67377799
2-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 71915904
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
CID 115430669
1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
CID 81198454
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 157459710

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine (CID 134297309) is N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is FC(F)(F)c1ccc2oc(Nc3ncn[nH]3)nc2c1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
The InChIKey is FQROLJWDCMNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O/c11-10(12,13)5-1-2-7-6(3-5)16-9(19-7)17-8-14-4-15-18-8/h1-4H,(H2,14,15,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine?
N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine has a molecular weight of 269.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134297309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).