ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine

C17H17F3N4O — CID 155585154

IUPACethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
SMILESCC.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N4O.C2H6/c16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11;1-2/h1-8H,(H2,19,20)(H,21,22);1-2H3
InChIKeyAHFKHKHUIZVWGL-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.11
Rot. Bonds3

About ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine

ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine (PubChem CID 155585154) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Nameethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
PubChem CID155585154
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Nameethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
SMILESCC.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N4O.C2H6/c16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11;1-2/h1-8H,(H2,19,20)(H,21,22);1-2H3
InChIKeyAHFKHKHUIZVWGL-UHFFFAOYSA-N
XLogP5.11
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The IUPAC name of ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine (CID 155585154) is ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The canonical SMILES for ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine is CC.Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The InChIKey is AHFKHKHUIZVWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O.C2H6/c16-15(17,18)10-3-1-9(2-4-10)12-8-21-14(23-12)22-11-5-6-13(19)20-7-11;1-2/h1-8H,(H2,19,20)(H,21,22);1-2H3.
What are the key properties of ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine has a molecular weight of 350.34 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 155585154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).