6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine

C19H21N5O2 — CID 120840361

IUPAC6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
SMILESNc1ccc(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)nc1
InChIInChI=1S/C19H21N5O2/c20-16-4-5-17(21-12-16)11-18-22-19(23-26-18)15-3-1-2-14(10-15)13-24-6-8-25-9-7-24/h1-5,10,12H,6-9,11,13,20H2
InChIKeyGXHONWIDUYBXCO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds5

About 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine

6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine (PubChem CID 120840361) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
PubChem CID120840361
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
SMILESNc1ccc(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)nc1
InChIInChI=1S/C19H21N5O2/c20-16-4-5-17(21-12-16)11-18-22-19(23-26-18)15-3-1-2-14(10-15)13-24-6-8-25-9-7-24/h1-5,10,12H,6-9,11,13,20H2
InChIKeyGXHONWIDUYBXCO-UHFFFAOYSA-N
XLogP2.14
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine with MolForge

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Related Compounds

[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 124566854
2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 82135838
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine (CID 120840361) is 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine is Nc1ccc(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)nc1.
What is the InChIKey of 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine?
The InChIKey is GXHONWIDUYBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-16-4-5-17(21-12-16)11-18-22-19(23-26-18)15-3-1-2-14(10-15)13-24-6-8-25-9-7-24/h1-5,10,12H,6-9,11,13,20H2.
What are the key properties of 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine?
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine has a molecular weight of 351.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 120840361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).