1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine

C15H13F3N6O — CID 164529336

IUPAC1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)13-23-12(24-25-13)10-7-20-14(21-8-10)22-11(6-19)9-4-2-1-3-5-9/h1-5,7-8,11H,6,19H2,(H,20,21,22)
InChIKeyWDBSMXGMYQWVNR-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.66
Rot. Bonds5

About 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine

1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 164529336) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID164529336
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)13-23-12(24-25-13)10-7-20-14(21-8-10)22-11(6-19)9-4-2-1-3-5-9/h1-5,7-8,11H,6,19H2,(H,20,21,22)
InChIKeyWDBSMXGMYQWVNR-UHFFFAOYSA-N
XLogP2.66
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
CID 164529335
N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155744140
N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155413568
3-(2-methylsulfanylpyrimidin-5-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 142608878
3-[4-(phenylsulfanylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370356
5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[1-(6-chloro-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 155744159
5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 155744148
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
CID 156666698
3-phenyl-N-[1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
CID 78111196
3-(3-benzylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175179860
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine (CID 164529336) is 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine is NCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is WDBSMXGMYQWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)13-23-12(24-25-13)10-7-20-14(21-8-10)22-11(6-19)9-4-2-1-3-5-9/h1-5,7-8,11H,6,19H2,(H,20,21,22).
What are the key properties of 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine?
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 350.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 164529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).