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

C15H11ClF3N5O — CID 71565459

IUPAC3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccncc1
InChIInChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyPXPOKLHJJGXFKJ-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.37
Rot. Bonds4

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

3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71565459) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71565459
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccncc1
InChIInChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyPXPOKLHJJGXFKJ-UHFFFAOYSA-N
XLogP4.37
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine
CID 71577456
N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155744140
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155413568
(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328662
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 145421115
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]morpholine-4-sulfonamide
CID 156666646
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155412835
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 164529336

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71565459) is 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CC(Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccncc1.
What is the InChIKey of 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is PXPOKLHJJGXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 369.73 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71565459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).