[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride

C10H10Cl2N2O — CID 3049264

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C10H9ClN2O.ClH/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2;1H
InChIKeyCLPDHIHTDZEVBX-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.88
Rot. Bonds2

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride (PubChem CID 3049264) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride
PubChem CID3049264
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C10H9ClN2O.ClH/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2;1H
InChIKeyCLPDHIHTDZEVBX-UHFFFAOYSA-N
XLogP2.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride (CID 3049264) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride?
The InChIKey is CLPDHIHTDZEVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O.ClH/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2;1H.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride has a molecular weight of 245.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 3049264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).