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

C14H19ClN2O — CID 81434305

IUPAC6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C14H19ClN2O/c1-9(4-3-5-10(2)16)14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,3-5,16H2,1-2H3
InChIKeyBKAMGHWKKNDCHW-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.10
Rot. Bonds5

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

6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine (PubChem CID 81434305) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
PubChem CID81434305
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C14H19ClN2O/c1-9(4-3-5-10(2)16)14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,3-5,16H2,1-2H3
InChIKeyBKAMGHWKKNDCHW-UHFFFAOYSA-N
XLogP4.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837473
3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 61229900
6-iodo-2-[(2S)-pentan-2-yl]-1,3-benzoxazole
CID 163452378
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
CID 67075692
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 81432956
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 63676371

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine?
The IUPAC name of 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine (CID 81434305) is 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine.
What is the SMILES notation for 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine?
The canonical SMILES for 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine is CC(N)CCCC(C)c1nc2ccc(Cl)cc2o1.
What is the InChIKey of 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine?
The InChIKey is BKAMGHWKKNDCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(4-3-5-10(2)16)14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,3-5,16H2,1-2H3.
What are the key properties of 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine?
6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine has a molecular weight of 266.77 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine is sourced from PubChem (CID 81434305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).