1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol

C11H15N3O2 — CID 79892783

IUPAC1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H15N3O2/c1-7(15)6-14(2)11-13-9-4-3-8(12)5-10(9)16-11/h3-5,7,15H,6,12H2,1-2H3
InChIKeyBZSXMRSOYNBYLA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds3

About 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol

1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol (PubChem CID 79892783) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
PubChem CID79892783
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H15N3O2/c1-7(15)6-14(2)11-13-9-4-3-8(12)5-10(9)16-11/h3-5,7,15H,6,12H2,1-2H3
InChIKeyBZSXMRSOYNBYLA-UHFFFAOYSA-N
XLogP1.23
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79890561
2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzoxazole-2,6-diamine
CID 79892602
2-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79892463
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 105414159
2-N-methyl-2-N-(3-phenylpropyl)-1,3-benzoxazole-2,6-diamine
CID 79882308
1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
CID 65279309
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893343
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79893044
1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79893182
3-[(6-amino-1,3-benzoxazol-2-yl)-propan-2-ylamino]propanenitrile
CID 79893497
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol (CID 79892783) is 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1nc2ccc(N)cc2o1.
What is the InChIKey of 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol?
The InChIKey is BZSXMRSOYNBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(15)6-14(2)11-13-9-4-3-8(12)5-10(9)16-11/h3-5,7,15H,6,12H2,1-2H3.
What are the key properties of 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol?
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 79892783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).