N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine

C19H23N5O2 — CID 29256468

IUPACN,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C19H23N5O2/c1-23(2)11-12-24(3)18-10-9-15(13-20-18)19-21-17(22-26-19)14-25-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeyFGWPMLFUTMDRAR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.71
Rot. Bonds8

About N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 29256468) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID29256468
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C19H23N5O2/c1-23(2)11-12-24(3)18-10-9-15(13-20-18)19-21-17(22-26-19)14-25-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeyFGWPMLFUTMDRAR-UHFFFAOYSA-N
XLogP2.71
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine (CID 29256468) is N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine is CN(C)CCN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1.
What is the InChIKey of N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is FGWPMLFUTMDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23(2)11-12-24(3)18-10-9-15(13-20-18)19-21-17(22-26-19)14-25-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 29256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).