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

C16H13FN4O — CID 53011747

IUPACN-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc1
InChIInChI=1S/C16H13FN4O/c17-12-4-1-10(2-5-12)15-20-16(22-21-15)11-3-8-14(18-9-11)19-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,19)
InChIKeyJDXOQJTVVGRXCD-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.51
Rot. Bonds4

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

N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 53011747) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID53011747
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc1
InChIInChI=1S/C16H13FN4O/c17-12-4-1-10(2-5-12)15-20-16(22-21-15)11-3-8-14(18-9-11)19-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,19)
InChIKeyJDXOQJTVVGRXCD-UHFFFAOYSA-N
XLogP3.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 53011747) is N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Fc1ccc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc1.
What is the InChIKey of N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is JDXOQJTVVGRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-4-1-10(2-5-12)15-20-16(22-21-15)11-3-8-14(18-9-11)19-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,19).
What are the key properties of N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 296.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53011747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).