1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine

C13H15ClN2O — CID 81433944

IUPAC1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3o2)CCCCC1
InChIInChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2
InChIKeyQMGXOUBVEBWHKC-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.60
Rot. Bonds1

About 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine

1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine (PubChem CID 81433944) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
PubChem CID81433944
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3o2)CCCCC1
InChIInChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2
InChIKeyQMGXOUBVEBWHKC-UHFFFAOYSA-N
XLogP3.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine (CID 81433944) is 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine is NC1(c2nc3ccc(Cl)cc3o2)CCCCC1.
What is the InChIKey of 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The InChIKey is QMGXOUBVEBWHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2.
What are the key properties of 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine has a molecular weight of 250.73 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81433944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).