4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline

C13H16N4O3 — CID 116807402

IUPAC4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCc2nc(N3CCOCC3)no2)cc1
InChIInChI=1S/C13H16N4O3/c14-10-1-3-11(4-2-10)19-9-12-15-13(16-20-12)17-5-7-18-8-6-17/h1-4H,5-9,14H2
InChIKeyMBYZUAMBYAYTON-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.07
Rot. Bonds4

About 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline

4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline (PubChem CID 116807402) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
PubChem CID116807402
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCc2nc(N3CCOCC3)no2)cc1
InChIInChI=1S/C13H16N4O3/c14-10-1-3-11(4-2-10)19-9-12-15-13(16-20-12)17-5-7-18-8-6-17/h1-4H,5-9,14H2
InChIKeyMBYZUAMBYAYTON-UHFFFAOYSA-N
XLogP1.07
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
4-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65334904
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790240
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
4-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]morpholine
CID 167793317
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630

Frequently Asked Questions

What is the IUPAC name of 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The IUPAC name of 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline (CID 116807402) is 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline.
What is the SMILES notation for 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The canonical SMILES for 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline is Nc1ccc(OCc2nc(N3CCOCC3)no2)cc1.
What is the InChIKey of 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The InChIKey is MBYZUAMBYAYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-10-1-3-11(4-2-10)19-9-12-15-13(16-20-12)17-5-7-18-8-6-17/h1-4H,5-9,14H2.
What are the key properties of 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline has a molecular weight of 276.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline is sourced from PubChem (CID 116807402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).