[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol

C15H21N3O2 — CID 79892810

IUPAC[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1ccc2nc(NCC3CCCCC3CO)oc2c1
InChIInChI=1S/C15H21N3O2/c16-12-5-6-13-14(7-12)20-15(18-13)17-8-10-3-1-2-4-11(10)9-19/h5-7,10-11,19H,1-4,8-9,16H2,(H,17,18)
InChIKeyZFKIMQRTYYGALE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds4

About [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol

[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 79892810) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID79892810
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1ccc2nc(NCC3CCCCC3CO)oc2c1
InChIInChI=1S/C15H21N3O2/c16-12-5-6-13-14(7-12)20-15(18-13)17-8-10-3-1-2-4-11(10)9-19/h5-7,10-11,19H,1-4,8-9,16H2,(H,17,18)
InChIKeyZFKIMQRTYYGALE-UHFFFAOYSA-N
XLogP2.62
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol (CID 79892810) is [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol is Nc1ccc2nc(NCC3CCCCC3CO)oc2c1.
What is the InChIKey of [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ZFKIMQRTYYGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-5-6-13-14(7-12)20-15(18-13)17-8-10-3-1-2-4-11(10)9-19/h5-7,10-11,19H,1-4,8-9,16H2,(H,17,18).
What are the key properties of [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 275.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 79892810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).