2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine

C15H13ClN2O — CID 43665734

IUPAC2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-5-6-14-13(9-12)18-15(19-14)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2
InChIKeyKXRSJDNLEMOOHL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.65
Rot. Bonds3

About 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine

2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine (PubChem CID 43665734) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
PubChem CID43665734
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-5-6-14-13(9-12)18-15(19-14)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2
InChIKeyKXRSJDNLEMOOHL-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-[4-(5-chloro-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373098
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
N-benzyl-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
CID 56737121
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315
azanium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate
CID 21149529
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392
3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
CID 82298467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine (CID 43665734) is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine is NCCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The InChIKey is KXRSJDNLEMOOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-5-6-14-13(9-12)18-15(19-14)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine has a molecular weight of 272.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 43665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).