[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine

C11H11ClN2O — CID 79139840

IUPAC[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2ocnc2CN)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-2-3-8(4-9(7)12)11-10(5-13)14-6-15-11/h2-4,6H,5,13H2,1H3
InChIKeyMTNQOKLEEIQQHA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds2

About [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine

[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139840) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139840
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2ocnc2CN)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-2-3-8(4-9(7)12)11-10(5-13)14-6-15-11/h2-4,6H,5,13H2,1H3
InChIKeyMTNQOKLEEIQQHA-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine (CID 79139840) is [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine is Cc1ccc(-c2ocnc2CN)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MTNQOKLEEIQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-2-3-8(4-9(7)12)11-10(5-13)14-6-15-11/h2-4,6H,5,13H2,1H3.
What are the key properties of [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).