N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C17H15F3N4O — CID 11175463

IUPACN-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(CCC(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N4O/c1-21-14-13(3-2-10-22-14)15-23-16(25-24-15)12-6-4-11(5-7-12)8-9-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeySXAQVTBTCZKMML-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.34
Rot. Bonds5

About N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 11175463) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID11175463
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(CCC(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N4O/c1-21-14-13(3-2-10-22-14)15-23-16(25-24-15)12-6-4-11(5-7-12)8-9-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeySXAQVTBTCZKMML-UHFFFAOYSA-N
XLogP4.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 11175463) is N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc(CCC(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is SXAQVTBTCZKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-21-14-13(3-2-10-22-14)15-23-16(25-24-15)12-6-4-11(5-7-12)8-9-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,22).
What are the key properties of N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 348.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 11175463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).