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

C15H10ClF3N4O — CID 71577287

IUPACN-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3ccccc3)c(Cl)c2)no1
InChIInChI=1S/C15H10ClF3N4O/c16-11-6-10(12-22-14(24-23-12)15(17,18)19)8-21-13(11)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,21)
InChIKeyOQGVSLTWHDCVQM-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.42
Rot. Bonds4

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

N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577287) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577287
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC NameN-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3ccccc3)c(Cl)c2)no1
InChIInChI=1S/C15H10ClF3N4O/c16-11-6-10(12-22-14(24-23-12)15(17,18)19)8-21-13(11)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,21)
InChIKeyOQGVSLTWHDCVQM-UHFFFAOYSA-N
XLogP4.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577287) is N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1nc(-c2cnc(NCc3ccccc3)c(Cl)c2)no1.
What is the InChIKey of N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is OQGVSLTWHDCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-11-6-10(12-22-14(24-23-12)15(17,18)19)8-21-13(11)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,21).
What are the key properties of N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 354.72 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).