N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C16H13F3N4O — CID 71577283

IUPACN-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCC(Nc1ccc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1
InChIInChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyPMDDNEBMDQLEAA-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.32
Rot. Bonds4

About N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577283) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577283
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCC(Nc1ccc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1
InChIInChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyPMDDNEBMDQLEAA-UHFFFAOYSA-N
XLogP4.32
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577283) is N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CC(Nc1ccc(-c2noc(C(F)(F)F)n2)cn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is PMDDNEBMDQLEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).