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

C15H11F3N4O — CID 155585155

IUPAC5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
SMILESNc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N4O/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/h1-8H,(H2,19,20)(H,21,22)
InChIKeyHHOGVZRMDGJQAB-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.08
Rot. Bonds3

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

5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine (PubChem CID 155585155) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
PubChem CID155585155
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine
SMILESNc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N4O/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/h1-8H,(H2,19,20)(H,21,22)
InChIKeyHHOGVZRMDGJQAB-UHFFFAOYSA-N
XLogP4.08
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine (CID 155585155) is 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine is Nc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
The InChIKey is HHOGVZRMDGJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/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/h1-8H,(H2,19,20)(H,21,22).
What are the key properties of 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine?
5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine has a molecular weight of 320.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 155585155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).