6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol

C13H19N3O2 — CID 107844096

IUPAC6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
SMILESNc1ccc2oc(NCCCCCCO)nc2c1
InChIInChI=1S/C13H19N3O2/c14-10-5-6-12-11(9-10)16-13(18-12)15-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,14H2,(H,15,16)
InChIKeyOAYYIDOLSBHXPZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.37
Rot. Bonds7

About 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol

6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol (PubChem CID 107844096) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
PubChem CID107844096
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
SMILESNc1ccc2oc(NCCCCCCO)nc2c1
InChIInChI=1S/C13H19N3O2/c14-10-5-6-12-11(9-10)16-13(18-12)15-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,14H2,(H,15,16)
InChIKeyOAYYIDOLSBHXPZ-UHFFFAOYSA-N
XLogP2.37
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-amino-1,3-benzoxazol-2-yl)amino]propoxy]ethanol
CID 106308929
2-N-[4-[methyl(propan-2-yl)amino]butyl]-1,3-benzoxazole-2,5-diamine
CID 79890125
3-[(5-amino-1,3-benzoxazol-2-yl)amino]-2,2-difluoropropan-1-ol
CID 114152950
2-[3-[(6-amino-1,3-benzoxazol-2-yl)amino]propoxy]ethanol
CID 106308873
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
CID 79885842
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79885020
2-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-2,5-diamine
CID 80681465
N'-(5-bromo-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 175701079
N'-(5-methyl-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 83832910
2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine
CID 79890367
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol (CID 107844096) is 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol is Nc1ccc2oc(NCCCCCCO)nc2c1.
What is the InChIKey of 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol?
The InChIKey is OAYYIDOLSBHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-5-6-12-11(9-10)16-13(18-12)15-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,14H2,(H,15,16).
What are the key properties of 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol?
6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 107844096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).