2-cyclohexyl-1,3-benzoxazol-5-amine

C13H16N2O — CID 770201

IUPAC2-cyclohexyl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C13H16N2O/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeySMJKERVKAQFVLY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.46
Rot. Bonds1

About 2-cyclohexyl-1,3-benzoxazol-5-amine

2-cyclohexyl-1,3-benzoxazol-5-amine (PubChem CID 770201) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-1,3-benzoxazol-5-amine
PubChem CID770201
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyclohexyl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C13H16N2O/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeySMJKERVKAQFVLY-UHFFFAOYSA-N
XLogP3.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-cyclobutyl-5-ethynyl-1,3-benzoxazole
CID 166973318
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 84693601
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890340
2-N-(1-cyclohexylethyl)-1,3-benzoxazole-2,5-diamine
CID 79891040
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine
CID 164909353

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclohexyl-1,3-benzoxazol-5-amine (CID 770201) is 2-cyclohexyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclohexyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclohexyl-1,3-benzoxazol-5-amine is Nc1ccc2oc(C3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexyl-1,3-benzoxazol-5-amine?
The InChIKey is SMJKERVKAQFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h6-9H,1-5,14H2.
What are the key properties of 2-cyclohexyl-1,3-benzoxazol-5-amine?
2-cyclohexyl-1,3-benzoxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 770201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).