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

C11H12Cl2N2O — CID 45156813

IUPAC[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCc1oc(-c2ccccc2Cl)nc1CN.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12;/h2-5H,6,13H2,1H3;1H
InChIKeyNSMRWPOFGBIYNI-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.18
Rot. Bonds2

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

[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 45156813) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
PubChem CID45156813
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCc1oc(-c2ccccc2Cl)nc1CN.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12;/h2-5H,6,13H2,1H3;1H
InChIKeyNSMRWPOFGBIYNI-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride (CID 45156813) is [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride is Cc1oc(-c2ccccc2Cl)nc1CN.Cl.
What is the InChIKey of [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is NSMRWPOFGBIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.ClH/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12;/h2-5H,6,13H2,1H3;1H.
What are the key properties of [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride?
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 45156813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).