2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine

C15H21N3O2 — CID 79995080

IUPAC2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCCC1COC(C)CN1Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C15H21N3O2/c1-3-12-9-19-10(2)7-18(12)8-15-17-13-5-4-11(16)6-14(13)20-15/h4-6,10,12H,3,7-9,16H2,1-2H3
InChIKeyVMQVKSLRZDVKLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds3

About 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 79995080) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
PubChem CID79995080
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCCC1COC(C)CN1Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C15H21N3O2/c1-3-12-9-19-10(2)7-18(12)8-15-17-13-5-4-11(16)6-14(13)20-15/h4-6,10,12H,3,7-9,16H2,1-2H3
InChIKeyVMQVKSLRZDVKLH-UHFFFAOYSA-N
XLogP2.41
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
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-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79994676
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 43575113
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 79996077
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075141
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 103530830
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-5-methylazepan-2-one
CID 79998608
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
CID 113375424
4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
CID 43575089

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine (CID 79995080) is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine is CCC1COC(C)CN1Cc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is VMQVKSLRZDVKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12-9-19-10(2)7-18(12)8-15-17-13-5-4-11(16)6-14(13)20-15/h4-6,10,12H,3,7-9,16H2,1-2H3.
What are the key properties of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine?
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 275.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79995080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).