1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine

C16H22N2O — CID 117399850

IUPAC1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
SMILESCC(C)c1nc2cc(C3(N)CCCCC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-11(2)15-18-13-10-12(6-7-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyYUXRCUAAOPDXEK-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine

1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine (PubChem CID 117399850) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
PubChem CID117399850
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
SMILESCC(C)c1nc2cc(C3(N)CCCCC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-11(2)15-18-13-10-12(6-7-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyYUXRCUAAOPDXEK-UHFFFAOYSA-N
XLogP4.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine (CID 117399850) is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine is CC(C)c1nc2cc(C3(N)CCCCC3)ccc2o1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine?
The InChIKey is YUXRCUAAOPDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)15-18-13-10-12(6-7-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine?
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117399850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).