2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol

C15H21N3O2 — CID 102631592

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1nc2c(N)cccc2o1)C1CCCCC1O
InChIInChI=1S/C15H21N3O2/c1-18(11-6-2-3-7-12(11)19)9-14-17-15-10(16)5-4-8-13(15)20-14/h4-5,8,11-12,19H,2-3,6-7,9,16H2,1H3
InChIKeyACNZPOQJTLTZEQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds3

About 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol

2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102631592) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102631592
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1nc2c(N)cccc2o1)C1CCCCC1O
InChIInChI=1S/C15H21N3O2/c1-18(11-6-2-3-7-12(11)19)9-14-17-15-10(16)5-4-8-13(15)20-14/h4-5,8,11-12,19H,2-3,6-7,9,16H2,1H3
InChIKeyACNZPOQJTLTZEQ-UHFFFAOYSA-N
XLogP2.15
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
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-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol (CID 102631592) is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1nc2c(N)cccc2o1)C1CCCCC1O.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is ACNZPOQJTLTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(11-6-2-3-7-12(11)19)9-14-17-15-10(16)5-4-8-13(15)20-14/h4-5,8,11-12,19H,2-3,6-7,9,16H2,1H3.
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol?
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).