5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine

C14H19N5O2 — CID 106960840

IUPAC5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C14H19N5O2/c1-15-10-13-17-18-14(21-13)16-11-2-4-12(5-3-11)19-6-8-20-9-7-19/h2-5,15H,6-10H2,1H3,(H,16,18)
InChIKeyHLRJCMKIALOMRY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.37
Rot. Bonds5

About 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960840) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960840
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C14H19N5O2/c1-15-10-13-17-18-14(21-13)16-11-2-4-12(5-3-11)19-6-8-20-9-7-19/h2-5,15H,6-10H2,1H3,(H,16,18)
InChIKeyHLRJCMKIALOMRY-UHFFFAOYSA-N
XLogP1.37
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-phenylaniline
CID 159018746
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
CID 84615184
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine (CID 106960840) is 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(Nc2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HLRJCMKIALOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-15-10-13-17-18-14(21-13)16-11-2-4-12(5-3-11)19-6-8-20-9-7-19/h2-5,15H,6-10H2,1H3,(H,16,18).
What are the key properties of 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 289.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).