2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine

C12H15N3O2 — CID 113375424

IUPAC2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(CN3CCCCO3)oc2c1
InChIInChI=1S/C12H15N3O2/c13-9-3-4-10-11(7-9)17-12(14-10)8-15-5-1-2-6-16-15/h3-4,7H,1-2,5-6,8,13H2
InChIKeyZMWPSCFSMGZLIL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.94
Rot. Bonds2

About 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine

2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine (PubChem CID 113375424) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
PubChem CID113375424
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(CN3CCCCO3)oc2c1
InChIInChI=1S/C12H15N3O2/c13-9-3-4-10-11(7-9)17-12(14-10)8-15-5-1-2-6-16-15/h3-4,7H,1-2,5-6,8,13H2
InChIKeyZMWPSCFSMGZLIL-UHFFFAOYSA-N
XLogP1.94
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.94
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-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79994676
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
3-[(6-amino-1,3-benzoxazol-2-yl)methyl]imidazolidine-2,4-dione
CID 79995104
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 103530830
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 114462071
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-5-methylazepan-2-one
CID 79998608
1-[(6-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 79996077
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
2-(oxan-4-ylsulfanylmethyl)-1,3-benzoxazol-6-amine
CID 79999073
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976

Frequently Asked Questions

What is the IUPAC name of 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine (CID 113375424) is 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(CN3CCCCO3)oc2c1.
What is the InChIKey of 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine?
The InChIKey is ZMWPSCFSMGZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-9-3-4-10-11(7-9)17-12(14-10)8-15-5-1-2-6-16-15/h3-4,7H,1-2,5-6,8,13H2.
What are the key properties of 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine?
2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine has a molecular weight of 233.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxazinan-2-ylmethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 113375424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).