3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine

C10H10Cl2N2O — CID 82232079

IUPAC3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C10H10Cl2N2O/c11-6-4-8-9(5-7(6)12)15-10(14-8)2-1-3-13/h4-5H,1-3,13H2
InChIKeyPJASDXNXTPWMOX-UHFFFAOYSA-N
MW245.11 g/mol
LogP3.03
Rot. Bonds3

About 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine

3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine (PubChem CID 82232079) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
PubChem CID82232079
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C10H10Cl2N2O/c11-6-4-8-9(5-7(6)12)15-10(14-8)2-1-3-13/h4-5H,1-3,13H2
InChIKeyPJASDXNXTPWMOX-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231160
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
CID 82231943
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
5-chloro-2-[2-(4-methylphenyl)ethyl]-1,3-benzoxazol-6-amine
CID 115539870
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115539881
5-chloro-2-[(3,4-dichlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539598
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-2-amine
CID 82720461
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 82720864

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine (CID 82232079) is 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine is NCCCc1nc2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine?
The InChIKey is PJASDXNXTPWMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-6-4-8-9(5-7(6)12)15-10(14-8)2-1-3-13/h4-5H,1-3,13H2.
What are the key properties of 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine?
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine has a molecular weight of 245.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine is sourced from PubChem (CID 82232079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).