5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine

C19H21N3O — CID 45279549

IUPAC5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
SMILESNc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1
InChIInChI=1S/C19H21N3O/c20-15-9-6-13(7-10-15)14-8-11-18-17(12-14)22-19(23-18)21-16-4-2-1-3-5-16/h6-12,16H,1-5,20H2,(H,21,22)
InChIKeyIMJXLGZVDADUFS-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.82
Rot. Bonds3

About 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine

5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine (PubChem CID 45279549) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
PubChem CID45279549
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
SMILESNc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1
InChIInChI=1S/C19H21N3O/c20-15-9-6-13(7-10-15)14-8-11-18-17(12-14)22-19(23-18)21-16-4-2-1-3-5-16/h6-12,16H,1-5,20H2,(H,21,22)
InChIKeyIMJXLGZVDADUFS-UHFFFAOYSA-N
XLogP4.82
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine (CID 45279549) is 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine is Nc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The InChIKey is IMJXLGZVDADUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-15-9-6-13(7-10-15)14-8-11-18-17(12-14)22-19(23-18)21-16-4-2-1-3-5-16/h6-12,16H,1-5,20H2,(H,21,22).
What are the key properties of 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).