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

C16H20N6O2 — CID 28926171

IUPAC5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCc3noc(C(C)C)n3)nc2)n1
InChIInChI=1S/C16H20N6O2/c1-9(2)14-20-16(24-22-14)11-5-6-12(17-7-11)18-8-13-19-15(10(3)4)23-21-13/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyFAJKGVASCOKOHF-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.37
Rot. Bonds6

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

5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (PubChem CID 28926171) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
PubChem CID28926171
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCc3noc(C(C)C)n3)nc2)n1
InChIInChI=1S/C16H20N6O2/c1-9(2)14-20-16(24-22-14)11-5-6-12(17-7-11)18-8-13-19-15(10(3)4)23-21-13/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyFAJKGVASCOKOHF-UHFFFAOYSA-N
XLogP3.37
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (CID 28926171) is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is CC(C)c1noc(-c2ccc(NCc3noc(C(C)C)n3)nc2)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is FAJKGVASCOKOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9(2)14-20-16(24-22-14)11-5-6-12(17-7-11)18-8-13-19-15(10(3)4)23-21-13/h5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 28926171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).