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

C20H22N4O3 — CID 45196290

IUPACN-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESc1ccc(OCc2noc(-c3ccc(NCC4CCCCO4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-6-16(7-3-1)26-14-19-23-20(27-24-19)15-9-10-18(21-12-15)22-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,21,22)
InChIKeyCUROHDZJIBQCJW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.69
Rot. Bonds7

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

N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 45196290) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID45196290
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESc1ccc(OCc2noc(-c3ccc(NCC4CCCCO4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-6-16(7-3-1)26-14-19-23-20(27-24-19)15-9-10-18(21-12-15)22-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,21,22)
InChIKeyCUROHDZJIBQCJW-UHFFFAOYSA-N
XLogP3.69
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 45196290) is N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is c1ccc(OCc2noc(-c3ccc(NCC4CCCCO4)nc3)n2)cc1.
What is the InChIKey of N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is CUROHDZJIBQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-6-16(7-3-1)26-14-19-23-20(27-24-19)15-9-10-18(21-12-15)22-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,21,22).
What are the key properties of N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 366.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 45196290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).