N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine

C20H24N6O2 — CID 92565606

IUPACN-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1nccc(-c2ccc(-c3noc(CNCCN4CCOCC4)n3)cc2)n1
InChIInChI=1S/C20H24N6O2/c1-15-22-7-6-18(23-15)16-2-4-17(5-3-16)20-24-19(28-25-20)14-21-8-9-26-10-12-27-13-11-26/h2-7,21H,8-14H2,1H3
InChIKeyVKGIKHSCGPUCIX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.92
Rot. Bonds7

About N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine

N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 92565606) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID92565606
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1nccc(-c2ccc(-c3noc(CNCCN4CCOCC4)n3)cc2)n1
InChIInChI=1S/C20H24N6O2/c1-15-22-7-6-18(23-15)16-2-4-17(5-3-16)20-24-19(28-25-20)14-21-8-9-26-10-12-27-13-11-26/h2-7,21H,8-14H2,1H3
InChIKeyVKGIKHSCGPUCIX-UHFFFAOYSA-N
XLogP1.92
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 46953648
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 113329269
5-[[4-[(2R)-butan-2-yl]piperazin-1-yl]methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
CID 92585790
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
CID 110220560
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 43067273
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889111
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 113329287
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine (CID 92565606) is N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine is Cc1nccc(-c2ccc(-c3noc(CNCCN4CCOCC4)n3)cc2)n1.
What is the InChIKey of N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is VKGIKHSCGPUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-22-7-6-18(23-15)16-2-4-17(5-3-16)20-24-19(28-25-20)14-21-8-9-26-10-12-27-13-11-26/h2-7,21H,8-14H2,1H3.
What are the key properties of N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 380.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 92565606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).