2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine

C14H19N3O2 — CID 79994676

IUPAC2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCCC1CN(Cc2nc3ccc(N)cc3o2)CCO1
InChIInChI=1S/C14H19N3O2/c1-2-11-8-17(5-6-18-11)9-14-16-12-4-3-10(15)7-13(12)19-14/h3-4,7,11H,2,5-6,8-9,15H2,1H3
InChIKeyGTQHMQXDVBVIDW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds3

About 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine

2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 79994676) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
PubChem CID79994676
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCCC1CN(Cc2nc3ccc(N)cc3o2)CCO1
InChIInChI=1S/C14H19N3O2/c1-2-11-8-17(5-6-18-11)9-14-16-12-4-3-10(15)7-13(12)19-14/h3-4,7,11H,2,5-6,8-9,15H2,1H3
InChIKeyGTQHMQXDVBVIDW-UHFFFAOYSA-N
XLogP2.02
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 103530830
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79995080
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
CID 113375424
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 114462071
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79964226
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-5-methylazepan-2-one
CID 79998608
2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-benzoxazol-6-amine
CID 106494170

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine (CID 79994676) is 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine is CCC1CN(Cc2nc3ccc(N)cc3o2)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is GTQHMQXDVBVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-11-8-17(5-6-18-11)9-14-16-12-4-3-10(15)7-13(12)19-14/h3-4,7,11H,2,5-6,8-9,15H2,1H3.
What are the key properties of 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 261.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79994676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).