[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine

C10H8Cl2N2O — CID 79140024

IUPAC[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N2O/c11-6-1-2-8(12)7(3-6)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyLGRKXRGOKADCGO-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.11
Rot. Bonds2

About [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine

[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79140024) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79140024
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N2O/c11-6-1-2-8(12)7(3-6)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyLGRKXRGOKADCGO-UHFFFAOYSA-N
XLogP3.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine (CID 79140024) is [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is LGRKXRGOKADCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-6-1-2-8(12)7(3-6)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2.
What are the key properties of [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 243.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79140024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).