4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine

C12H16N4O2 — CID 43562392

IUPAC4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCCC1CN(c2ccc(N)c3nonc23)CCO1
InChIInChI=1S/C12H16N4O2/c1-2-8-7-16(5-6-17-8)10-4-3-9(13)11-12(10)15-18-14-11/h3-4,8H,2,5-7,13H2,1H3
InChIKeyYAKSKGOINVFUQP-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.42
Rot. Bonds2

About 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine

4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine (PubChem CID 43562392) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine
PubChem CID43562392
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCCC1CN(c2ccc(N)c3nonc23)CCO1
InChIInChI=1S/C12H16N4O2/c1-2-8-7-16(5-6-17-8)10-4-3-9(13)11-12(10)15-18-14-11/h3-4,8H,2,5-7,13H2,1H3
InChIKeyYAKSKGOINVFUQP-UHFFFAOYSA-N
XLogP1.42
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylpyrrolidin-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 113416859
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
CID 106949057
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
4-[3-(dimethylamino)pyrrolidin-1-yl]-2,1,3-benzoxadiazol-7-amine
CID 55160863
2-(2-ethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81132303
4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 16640650
4-(2-ethylmorpholin-4-yl)-1H-pyrazol-5-amine
CID 82234961
4-(4-butan-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 62774227
(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63369544
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,1,3-benzoxadiazol-7-amine
CID 79940762
5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 66110707

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine (CID 43562392) is 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine is CCC1CN(c2ccc(N)c3nonc23)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The InChIKey is YAKSKGOINVFUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-8-7-16(5-6-17-8)10-4-3-9(13)11-12(10)15-18-14-11/h3-4,8H,2,5-7,13H2,1H3.
What are the key properties of 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine?
4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine has a molecular weight of 248.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 43562392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).