2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine

C10H9F3N4O — CID 103436967

IUPAC2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)7-3-1-6(2-4-7)5-15-9-17-16-8(14)18-9/h1-4H,5H2,(H2,14,16)(H,15,17)
InChIKeyXASXMEWLBPGUOW-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.28
Rot. Bonds3

About 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436967) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436967
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)7-3-1-6(2-4-7)5-15-9-17-16-8(14)18-9/h1-4H,5H2,(H2,14,16)(H,15,17)
InChIKeyXASXMEWLBPGUOW-UHFFFAOYSA-N
XLogP2.28
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine (CID 103436967) is 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(NCc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is XASXMEWLBPGUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)7-3-1-6(2-4-7)5-15-9-17-16-8(14)18-9/h1-4H,5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 258.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).