N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine

C12H15ClN2O — CID 81432956

IUPACN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C12H15ClN2O/c1-8(2)14-6-5-12-15-10-4-3-9(13)7-11(10)16-12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyBPQNUVVWJIVGIV-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine

N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine (PubChem CID 81432956) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
PubChem CID81432956
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C12H15ClN2O/c1-8(2)14-6-5-12-15-10-4-3-9(13)7-11(10)16-12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyBPQNUVVWJIVGIV-UHFFFAOYSA-N
XLogP3.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
CID 81433660
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81433634
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
2-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-2-ethylbutanoic acid
CID 81434287
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine (CID 81432956) is N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nc2ccc(Cl)cc2o1.
What is the InChIKey of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The InChIKey is BPQNUVVWJIVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(2)14-6-5-12-15-10-4-3-9(13)7-11(10)16-12/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine has a molecular weight of 238.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 81432956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).