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

C14H19N3O2 — CID 79995381

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
SMILESCC1(C)COCCN1Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H19N3O2/c1-14(2)9-18-7-6-17(14)8-12-16-13-10(15)4-3-5-11(13)19-12/h3-5H,6-9,15H2,1-2H3
InChIKeyRXBHJQLERPUMIC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds2

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

2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine (PubChem CID 79995381) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
PubChem CID79995381
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
SMILESCC1(C)COCCN1Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H19N3O2/c1-14(2)9-18-7-6-17(14)8-12-16-13-10(15)4-3-5-11(13)19-12/h3-5H,6-9,15H2,1-2H3
InChIKeyRXBHJQLERPUMIC-UHFFFAOYSA-N
XLogP2.02
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317864
2-[(3,3-dimethylmorpholin-4-yl)methyl]aniline
CID 61428614
3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
CID 61430608
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-3-methylimidazolidin-2-one
CID 79995960
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 114462231
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79996082
2-[(3-methylthiomorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
CID 79994794
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]azepane-2,7-dione
CID 79996159
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103530943
2-[(4-amino-1,3-benzoxazol-2-yl)methyl]isoindole-1,3-dione
CID 82346442
5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62207578
2-amino-4-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 61429705

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine (CID 79995381) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine is CC1(C)COCCN1Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine?
The InChIKey is RXBHJQLERPUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2)9-18-7-6-17(14)8-12-16-13-10(15)4-3-5-11(13)19-12/h3-5H,6-9,15H2,1-2H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79995381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).