5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine

C20H22N4O2 — CID 45211822

IUPAC5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NCC4CCCOC4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-5-15(6-3-1)11-19-23-20(26-24-19)17-8-9-18(22-13-17)21-12-16-7-4-10-25-14-16/h1-3,5-6,8-9,13,16H,4,7,10-12,14H2,(H,21,22)
InChIKeyICSRLBXKDVXMQC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds6

About 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 45211822) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID45211822
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NCC4CCCOC4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-5-15(6-3-1)11-19-23-20(26-24-19)17-8-9-18(22-13-17)21-12-16-7-4-10-25-14-16/h1-3,5-6,8-9,13,16H,4,7,10-12,14H2,(H,21,22)
InChIKeyICSRLBXKDVXMQC-UHFFFAOYSA-N
XLogP3.56
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 45211822) is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine is c1ccc(Cc2noc(-c3ccc(NCC4CCCOC4)nc3)n2)cc1.
What is the InChIKey of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is ICSRLBXKDVXMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-5-15(6-3-1)11-19-23-20(26-24-19)17-8-9-18(22-13-17)21-12-16-7-4-10-25-14-16/h1-3,5-6,8-9,13,16H,4,7,10-12,14H2,(H,21,22).
What are the key properties of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine?
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 350.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 45211822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).